Depth-First

Archive

  1. Clock Yourself

  2. Compassion & Choices

  3. Round Two

  4. Median

  5. My Struggle for a Good Death

  6. The Witness

  7. Opting out of Optune

  8. DCA and Me

  9. Crystal Gardens

  10. The Geiger Counter

  11. Living with Glioblastoma

  12. Beating Swords into Ploughshares

  13. Growing Pains

  14. Sowing Seeds on Rocky Soil

  15. Grandpa, What Did You Do at the Atom Bomb Factory?

  16. How I Bought and Estimated the Purity of Sodium Dichloroacetate

  17. Beware Oncologists Bearing Hope

  18. Dichloroacetate

  19. Progression

  20. The California End of Life Option Act

  21. Just Saying "No" to Adjuvant Temozolomide

  22. George

  23. Chemoradiotherapy

  24. Temodar, MGMT Methylation, and the Endless Loop of Bad Glioblastoma Treatments

  25. Tumor Board

  26. The Ambiguously Alarming Brain MRI

  27. The Principle of Least Convenience

  28. Glioblastoma's Dismal Standard of Care: The Stupp Protocol

  29. Deconditioning, Rehabilitation, and Independence

  30. Fall Guy

  31. Buried Alive

  32. Dealing with Brain MRIs

  33. Physical and Cognitive Impairments

  34. The G-Word

  35. Reflections on My Brain Surgery

  36. Brain Surgery or Die in Three Months

  37. The Scary Stuff

  38. I Finally Get that Brain MRI

  39. ER

  40. Everyone Has a Plan

  41. Using the Typestate Pattern with Rust Traits

  42. Conjugated Cycle Selection

  43. Exhaustive Cycle Enumeration in Rust

  44. Extending the V3000 Molfile Format with User-Specified Collections

  45. Rethinking Tautomer Representation

  46. Naive Balsa Canonicalization

  47. Balsa Reference Implementation

  48. Direct Molecular Translation

  49. Reading CTfiles with CTcore

  50. CTfile Character Encoding

  51. Dealing with Delocalization

  52. Beyond Stereochemical Templates

  53. Toward a Standard InChI Formal Grammar

  54. Element-to-Atom Mapping in InChI

  55. Trey: A Toolkit for V3000 Molfiles and RGfiles

  56. Introducing Balsa

  57. 18 SMILES Problems as Seen through Twitter Polls

  58. ProtoSMILES

  59. A Dedicated Library for Reading and Writing V3000 CTfiles

  60. TUCAN Canonicalization Revisited

  61. TUCAN Canonicalization

  62. Molecular Identification with TUCAN

  63. An Introduction to DataWarrior

  64. Python Extensions in Pure Rust with Rust-CPython

  65. Big Reaction Data

  66. V3000 Molfile Enhanced Stereochemistry Representation

  67. Graphs from Scratch in Python

  68. Penny Codes

  69. Stereochemistry and the V2000 Molfile Format

  70. A Beginner's Guide to Parsing in Rust

  71. MDL Valence-Mageddon

  72. Ten Reasons to Adopt the V3000 Molfile Format

  73. Typed JavaScript

  74. Types without TypeScript

  75. Molecular Graph Canonicalization

  76. Beyond SMILES

  77. A Rust PostgreSQL Extension for CAS Numbers

  78. Postgres Extensions in Rust

  79. The RDKit/Postgres Ordered Substructure Search Problem

  80. Running the RDKit Postgres Cartridge with Docker

  81. The Trouble with Hückel

  82. Writing Aromatic SMILES

  83. Delocalization-Induced Molecular Equality

  84. Molecular Assembly Index

  85. Standard InChI

  86. Of Zero-Order Bonds and Bonding Systems

  87. InChI Syntax

  88. An Introduction to the ChemDraw CDXML Format

  89. Running InChI Anywhere with WebAssembly

  90. Parsing InChI: It's Complicated

  91. Purr: A SMILES Toolkit for Rust

  92. Fast Hydrogen Counting in SMILES

  93. Benchmarking Iteration from a Rust Trait

  94. Matched Molecular Pairs

  95. SMILES Formal Grammar Revisited

  96. Abstract Syntax Trees for SMILES

  97. A Workbench for Machine Learning in Chemistry

  98. SMILES Reading Performance: RDKit vs ChemCore

  99. Start Seeing Valence and Core Electrons

  100. Running a SMILES Validation Benchmark

  101. Edmonds' Blossom Algorithm Part 1: Cast of Characters

  102. Interactive Rust in a REPL and Jupyter Notebook with EVCXR

  103. Getting Started with DeepChem

  104. Saying No to Browser UI Frameworks

  105. A Smallest Set of Smallest Rings

  106. SMILES Validation in the Browser

  107. Getting Started with RDKit and Jupyter

  108. Python Extensions in Pure Rust with PyO3

  109. Wrapping Rust Types as Python Classes

  110. A Guide to Molecular Standardization

  111. Reading Large SDfiles in Rust

  112. The SDfile Format

  113. Rust and WebAssembly from Scratch: Hello World with Strings

  114. Compiling Rust to WebAssembly: A Simple Example

  115. Returning Rust Iterators

  116. OxMol: Rust/Python Bindings for ChemCore

  117. Hydrogen Suppression in SMILES

  118. ChemCore: A Cheminformatics Toolkit for Rust

  119. Let's Build a SMILES Parser in Rust

  120. Hydrogen Suppression in Cheminformatics

  121. Cheminformatics in Rust: Implementing a Minimal Molecule API

  122. Stereochemistry and Atom Parity in SMILES

  123. Multi-Atom Bonding in Cheminformatics

  124. SMILES Formal Grammar

  125. Hydrogen Suppression in Molfiles

  126. A Minimal Molecule API

  127. COVID MoonShot

  128. Azithromycin and COVID-19

  129. Formal Charge and Bond Order are Side Effects

  130. A Brief Introduction to Graph Convolutional Networks

  131. Compiling InChI to WebAssembly Part 2: From Molfile to InChI

  132. Rethinking the Chemical Reaction as a Graph: Imaginary Transition Structures and Beyond

  133. Graphs in Rust: Introducing Gamma

  134. A Comprehensive Treatment of Aromaticity in the SMILES Language

  135. Graphs in Rust: An Introduction to Petgraph

  136. Rust Ownership by Example

  137. Rust for Cheminformatics

  138. First Steps in WebAssembly: Hello World

  139. A Minimal Graph API

  140. Virtual Hydrogens

  141. Compiling C to WebAssembly and Running It - without Emscripten

  142. Security Theater and the Blockchain Project

  143. Compiling InChI to WebAssembly Part 1: Hello InChI

  144. JavaScript for Cheminformatics, Part 2

  145. The SMILES Substructure Search Fallacy

  146. The Maximum Matching Problem

  147. Chemical Line Notations for Deep Learning: DeepSMILES and Beyond

  148. Class-Free Object-Oriented Programming

  149. The Language of Organic Chemistry

  150. Distributed Chemistry

  151. Chemception: Deep Learning from 2D Chemical Structure Images

  152. The NextMove Patent Reaction Dataset

  153. Scanner-Driven Parser Development

  154. Debugging ES Modules in Node.js and Mocha Using VS Code

  155. Computing Extended Connectivity Fingerprints

  156. The Horrifying Future of Scientific Communication

  157. Planes, Trains, and Organic Syntheses

  158. Free Access to ACS Publications and Why You Can't Have It (Yet)

  159. A Third Failed Test of ACS Articles on Request and How to Help

  160. A Second Failed Test of ACS Articles on Request

  161. Chemical Structure Copy and Paste Problems

  162. Chemists: How Do You Keep Current with the Literature?

  163. Solving Organic Chemistry's Oldest Problem

  164. Evernote as an Electronic Lab Notebook (ELN)

  165. Copyright for Chemists: Promoting Reuse through Open Licensing

  166. Copyright for Chemists: A Failed Test of ACS Articles on Request

  167. Copyright for Chemists: How to Free Your Supporting Information

  168. Copyright for Chemists

  169. Anonymous Science and the Survival of BlogSyn

  170. Chemists: What Has LinkedIn Done For You Lately?

  171. The Manic Depressive Chemistry Jobs Market: A 24-Year Perspective

  172. Reshoring Pharma Jobs

  173. Ambassador for Chemistry?

  174. How to Get a Job Like Mine

  175. Follow the Money: American Chemical Society Expenses at a Glance

  176. Follow the Money: American Chemical Society Income at a Glance

  177. Two Windows are Better Than One

  178. Which Programming Language Should I Learn as a Chemist?

  179. Molfile and SD File Formats: Broken But Irreplaceable?

  180. Reading (and Rendering) ChemDraw CDX Files in JavaScript

  181. Why Organic Chemistry is Like Facebook

  182. Balancing Chemical Equations in ReactionMate Part 1: More Than Meets the Eye

  183. Why ACS Must Come Clean on Journal Publication Costs

  184. Education of a Scientist

  185. George Whitesides: The Concept of the Scientific Paper is Eroding Before Our Very Eyes

  186. Five Things to Do Instead of Protesting the Research Works Act (HR 3699)

  187. Digital Destruction in Scientific Publishing: Why This Scientist Supports the Research Works Act (HR 3699)

  188. On the (F)utility of Extending the Molfile Format

  189. IBM Donates Large Collection of Patent Chemical Structures to NIH/PubChem

  190. Understanding the PyMOL User Interface

  191. Install PyMOL on Mac OS X Snow Leopard

  192. Install PyMOL on Windows

  193. Install PyMOL on Ubuntu Linux

  194. How To Render Chemical Structure Images in Web Pages Without A Server

  195. An Introduction to Foldit

  196. Easily Install PyMOL on Mac OSX

  197. How to Validate CAS Registry Numbers in JavaScript

  198. Display Inline SVG Using the <img> Tag

  199. Similarity-Potency Trees

  200. Mobile Technologies in Chemistry Session at Spring ACS Meeting in San Diego

  201. Shoreline: A Google Closure Project Template

  202. Sixty-Four Free Chemistry Databases

  203. ACS v. Leadscope: Oral Arguments in Ohio Supreme Court

  204. Learn WebGL by Building a 3D Molecule Viewer

  205. Spex: Spectrum and Chromatogram Analysis for the Web Browser

  206. Changes

  207. Drugable.com: Web Software for Drug Discovery

  208. ChemWriter on Chrome for Linux and Windows: Working Around the Chrome SVG Bug

  209. Standardization in Lab Automation: The SiLA Consortium

  210. Really Drug-Like Molecules

  211. Reading and Writing the System Clipboard in JavaScript: Copy and Paste Molfiles in ChemWriter on Internet Explorer

  212. Jmol Without Applets Using Websockets

  213. PicoSpin and the Incredible Shrinking Lab

  214. WebGL and What It Means for Chemistry

  215. Ten Reasons to Use ChemWriter in Your Next Web Application

  216. Working With OPSIN - Using Netbeans for a Maven Project

  217. Plugging Into OPSIN - How to Synchronize Git and Mercurial Repositories

  218. Open Source Name To Structure Conversion of IUPAC Nomenclature - OPSIN Revisited

  219. Name That Graph Revealed - Crankshaft, JavaScript and the Coming Marketplace Disruption

  220. Name That Graph

  221. Just Add Points?

  222. The Mysterious Google Chrome SVG Bug Revisited

  223. 200 Countries and 200 Years in 4 Minutes

  224. The Mysterious Google Chrome SVG Bug

  225. JavaScript Now Works - Keyboard, Mouse Focus, and Molfile Copy in ChemWriter

  226. Atom Labels Now Available in ChemWriter 2

  227. Google Closure - Synchronize the Closure Library SVN Using a Git Submodule

  228. Inkspot Science - Pipeline Pilot for the Cloud?

  229. Google Closure - Building Complex Applications with JavaScript

  230. Building ChemWriter 2 - Pivotal Tracker for Project Management

  231. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  232. Jeux Sans Frontieres

  233. ChemWriter 2 Preview

  234. ACS Versus Leadscope - Leadscope Tells Its Story in Court Document

  235. The ACS Versus Leadscope Case

  236. ChemCell - Easily Convert Names and CAS Numbers to Chemical Structures in Excel

  237. The IE Team is (Finally) Serious about JavaScript and SVG

  238. Predicting Synthetic Accessibility

  239. Name That Graph

  240. Cheminformatics Data Pipelining with KNIME - Creating a Custom Node for Generating InChIs and InChI Keys

  241. How to Enable Exact Structure Search and Substructure Search for Your Chemical Database

  242. The FDA Unique Ingredient Identifier (UNII)

  243. A Lightweight and Portable Java Interface to InChI

  244. Freeform Natural Laws from Experimental Data

  245. Cheminformatics Data Pipelining with KNIME - Configuring a Node Developer Environment on Ubuntu Linux

  246. Poster at the CDD Community Meeting

  247. Cheminformatics Data Pipelining with KNIME - Getting Started

  248. The ACS Journal Publishing Agreement and the Other Path Forward

  249. Software Downsizing

  250. Node.js

  251. A Brief Introduction to Lawson Numbers

  252. Making Sense of the ChemDraw CDX File Format with CDXHexDumper

  253. Reading and Translating ChemDraw CDX Files with OpenBabel

  254. A Brief Introduction to the ChemDraw CDX File Format

  255. Scrum in Under Ten Minutes

  256. The Graph Traversal Programming Pattern

  257. Goodbye Paper, Hello Mendeley

  258. NoSQL is Web Scale [NSFW]

  259. Google Does a Spinning Molecule Thingie

  260. Chempedia Lab: Slides from Fall 2010 ACS Meeting in Boston

  261. ChemWriter 2: Fall 2010 ACS Lightning Talk Slides and Ideas for Future Sessions

  262. Visual Representation of Query Structures

  263. Whyday and Putting Away Your Best Practices

  264. Building ChemWriter 2 - See it in Person at the Fall 2010 ACS in Boston

  265. ACS Appeals Leadscope Case to Ohio Supreme Court

  266. Chemicalize: Instant Access to Structures on Arbitrary Web Pages

  267. Building ChemWriter 2 - JavaScript All the Way Down

  268. Mirroring PubChem the Easy Way with PubChem Fu

  269. Rational, Self-Maximizing Actors

  270. Symposium: Recent Progress in Chemical Structure Representation

  271. The Elephant in the Room: Should Chemical Abstracts Service Become a For-Profit Company?

  272. Help Us Solve a Mechanistic Mystery: Benzimidazole Formation using Sodium Metabisulfite

  273. LinkedIn Forums, How Do I Despise Thee? Let Me Count The Ways

  274. Latest CTFile Formats Specification Available Now from Symyx

  275. 1981 Time Capsule: The Future of Newspaper Publication

  276. The Avalanche of Low-Quality Research?

  277. What About Chempedia?

  278. HTML 5, Mobile Devices, and Chemistry

  279. What Goes Around Comes Around: University of California Threatens System-Wide Boycott of Nature Publishing Group

  280. Chemical Inventory Systems: Cheminformatics' Problem Child?

  281. Gigabytes of Chemical Information - Now Free for Download

  282. Chemistry Has a Long Tail - Deal With It

  283. How To Kill the DOI System

  284. Two Chemistry Apps for Mobile Devices

  285. Cheminformatics in JavaScript: JChemHub

  286. Chemvoice: Making It a Little Easier to Be a Great Chemist

  287. Awesome People: Andrew Warner

  288. Crazy Idea #443: Structure-Activity Relationship Studies Done Through Paid Crowdsourcing

  289. Wise People

  290. Practical Chemistry on the Web

  291. The Scientist's Dilemma

  292. Wiley DOI Fail

  293. Wanted: A Few Good Chemists

  294. InChI 1.03 Prerelease

  295. One-Stop Shopping for Chemistry Journal RSS and Atom Feeds

  296. Why Most Chemists (Still) Don't Use RSS and Why You Should Care

  297. Game Mechanics in Science: You're Soaking in Them

  298. Chempedia: A Social Medium for Chemical Information - Wrapup

  299. Chempedia at the Spring ACS

  300. Jeux Sans Frontieres

  301. The Culture of Chemistry: Asking Questions in Public Considered Harmful?

  302. Smaller, Cheaper, More Powerful

  303. Significant InChI Issue: Two Different InChIs from the Same Molecule

  304. Why is Chempedia Lab Failing?

  305. What's the Difference Between an ELN and a LIMS?

  306. Big Data in Chemistry: Incrementally Mirror PubChem the Easy Way

  307. Second Call For Papers: Recent Advances in Chemical Structure Representation

  308. Note to Journal Publishers: Forget About Bling and Focus on Content

  309. Quote of the Week: Print References

  310. Everything Old is New Again: WLN in PubChem

  311. Big Data in Chemistry: Mirroring PubChem the Easy Way Part 2

  312. Big Data in Chemistry: Mirroring PubChem the Easy Way

  313. I Dare You: Ask Your Toughest Experimental Chemistry Question on Chempedia Lab

  314. PubCouch: Create Your Own Custom PubChem Subset

  315. PubCouch - Streams Aren't Just for Pipeline Pilot

  316. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  317. PubCouch: A CouchDB Interface to PubChem

  318. The Future of PyMOL

  319. MX Snippets Part 1: Generate Molecular Fingerprints From the Command Line

  320. StructureDB - A Profiling Session

  321. Talking About Chempedia and the Future of Scientific Communication

  322. Out With the Old (Or At Least The Stuff That Prevents Progress)

  323. The Warren L. DeLano Memorial Award for Computational Biosciences

  324. Pinpoint Performance Problems with Google Speed Tracer

  325. JavaScript Survival: Screw.Unit

  326. Casting a Wide Net in Cheminformatics

  327. Tech Fridays: Cloud Computing (in Plain English)

  328. Chempedia Data Downloads: Free as in Free

  329. A Clean, Well-Lit Place for Spectra

  330. Warren DeLano

  331. Building Chempedia - A RESTful Web API for Chemical Information

  332. Building Chempedia: Global Substance Identifiers (GSIDs) and Search Engines Play Nice Together

  333. Chempedia Launch Day Wrapup

  334. Indigo: Open Source Cheminformatics for C++ and .Net

  335. Building Chempedia: Heroku, DNS, and Propagation

  336. Welcome to Chempedia!

  337. Avogadro 1.0

  338. Tech Fridays: The Web That Wasn't

  339. Chempedia: A Social Medium for Chemical Information

  340. Building Chempedia - Heroku Deployment First Impressions

  341. Tech Fridays: Galaxy Zoo

  342. The SMILES Antipattern

  343. The Future of Scientific Publication - Role Reversal Ahead

  344. Tech Fridays: Google Web Toolkit

  345. Building Chempedia: Deployment with Heroku and EC2

  346. Last Chance to Win a ChemWriter Domain License

  347. Drug Discovery on the Web

  348. Tech Fridays: Deploying Rails and Rack Applications with Heroku

  349. REST Tip: Use JSONView for In-Browser JSON Syntax Highlighting

  350. Is the Electronic Laboratory Notebook Doomed?

  351. A RESTful Interface for Toxicity Prediction

  352. Win a Free ChemWriter License for Your Site

  353. Tech Fridays: Google Chrome Frame

  354. Reverse Auction for Specialty Chemicals

  355. Sixty-Four Free Chemistry Databases - Thirty and Counting

  356. Casual Saturdays: Optimistic Design

  357. Tech Fridays: PubSubHubbub

  358. Stereochemistry Puzzler: Answers

  359. Stereochemistry Puzzler: How Many Stereoisomers for These 69 Structures?

  360. Stereoisomer Generation

  361. Casual Saturdays: Extreme Testing

  362. Tech Fridays: JavaScript - The Good Parts

  363. The RESTful Chemical Tracking System Part 5 - Media Types

  364. Tech Fridays: Titanium Mobile and the Electronic Laboratory Notebook Usability Problem

  365. RESTful Cheminformatics Web Services in PHP and Ruby: Two Chemcaster Clients

  366. The RESTful Chemical Tracking System Part 4 - Resources, Representations, Hypertext, and JSON

  367. The RESTful Chemical Tracking System Part 3 - Resource Associations

  368. Human Computing

  369. The RESTful Chemical Tracking System Part 2 - Resources

  370. The RESTful Chemical Tracking System Part 1 - Introduction

  371. RESTful Web Services, Hypermedia, and (Robot) Scientists

  372. Chemical Information and Marketing

  373. Molecular Modeling for Average Joes

  374. Sixty-Four Free Chemistry Databases - Twenty and Counting

  375. Casual Saturdays: Never Assume

  376. Linked Chemical Data @ Google TechTalks

  377. Graph Databases and Cheminformatics - Neo4j

  378. Chemcaster - The REST Web API for Cheminformatics

  379. Seventeen GitHub Accounts to Watch in Cheminformatics

  380. Dear Lazyweb: Does Jmol Support Output for Use with 3D Glasses?

  381. MX-1.0 Beta 2

  382. Hashing and the Universal Molecular Identifier

  383. Always Be Testing: Using Mockito in MX

  384. Casual Saturdays: Bird's Eye

  385. Porting MX - CDK-Compatible VF Implementation

  386. Innovation: What Thinking Outside the Box Actually Means

  387. 3D Molecular Visualization with Avogadro

  388. Casual Saturdays - Turtles All The Way Down

  389. Open Source Cheminformatics Tools and Data

  390. Quick MX Update - Extensible Fingerprints and Hydrogen-Blocked Substructure Queries

  391. Beginning of the End for ACS Journal Print Editions

  392. If the Wheel Doesn't Work, Reinvent it

  393. Nifty GitHub Features: Integrated Issue Tracking

  394. Casual Saturdays: Linked Data

  395. MX-1.0 Beta 1

  396. Dark Corners of the Molfile Specification - Sgroups and Substructure Abbreviations

  397. Small Libraries and GitHub: Applet-Fu

  398. On This Day In Organic Chemistry, 1874

  399. RESTful Substructure Search

  400. Painless Source Code Highlighting with Prettify

  401. Name That Graph Revealed: Comments, Peer-Review, and the Web

  402. Name That Graph

  403. Still More Free Chemistry Databases and Web Services

  404. Forking ONS Challenge Solubility Code on GitHub

  405. Downloadable eMolecules Datasets

  406. Five Reasons Why Chemical Societies Need Free Databases and Web Services

  407. Casual Saturdays: Repurpose

  408. Updating Ruby CDK

  409. Science Doesn't Need Journals

  410. Building Chemistry Communities

  411. Learning from StackOverflow: Building Chemistry Communities

  412. Scientific Blogging - Ignore It and Be Ignored?

  413. Casual Saturdays: Correlation

  414. The First InChIKey Collision

  415. CouchDB for Chemistry

  416. Casual Saturdays: The Thin Line Between Crackpot and Genius

  417. Antisocial Journals

  418. Chemical Markup Language and Ferrocene Part 2 - Cyclopentadienyl Anion

  419. Why Chemical Abstracts Service Might Not Want To Use InChI

  420. Chemical Markup Language and Ferrocene Part 1: Chem4Word and Breaking with the Past

  421. Getting Real With Electronic Laboratory Notebooks - mylims.org

  422. Cheminformatics in Any Language with MX Part 1 - Scala

  423. ACS To Suspend Print Publication of All Journals

  424. A Comprehensive Guide FlexMol, A Modern Language for Chemical Representation Part 2: Real-World Problems

  425. Sixty-Four Free Chemistry Databases - Five and Counting...

  426. Casual Saturdays: Building Blocks

  427. Cheminformatics, Crowds, and Cha-Ching

  428. A Comprehensive Guide FlexMol, A Modern Language for Chemical Representation Part 1: Outlining the Problem

  429. Cheminformatics in the Popular Press: The Long Tail of Structural Scaffolds

  430. Casual Saturdays: Twittervision

  431. What's Up With Chempedia?

  432. Sixty-Four Free Chemistry Databases

  433. Casual Saturdays: What's Phase 2?

  434. Interconvert Database Formats in Rails with YamlDB

  435. Substructure Search Idoms: Hydrogen Means Block Substitution

  436. The Bikeshed Effect

  437. $299 ChemWriter Domain Licenses During March

  438. Broken Business Models and Bailouts

  439. Cheminformatics and Micropublication in Chemistry

  440. What the Heck is RDF?

  441. What the Heck is the Semantic Web?

  442. Zusammen: The Other Half of the Story

  443. Casual Saturdays: The Lazy Path to Enlightenment

  444. ChemVendor: The Web-Based, Chemically-Enabled Product Management System

  445. MX at Work: Building a Pure JavaScript Chemical Structure Editor

  446. Casual Saturdays: Popular Belief

  447. Chemical Substructure Search in SQL

  448. Chemical Informatics Guys Don't Get It

  449. Of Web-Centric Science, Telegraphs, and Telephones

  450. Web-Centric Science

  451. Scaling Up Scientific Conversation

  452. GitHub for Chemistry: Revision Controlled Datasets?

  453. MX Performance Comparison #3: Substructure Search in MX and CDK

  454. MX Performance Comparison #2: Exhaustive Ring Perception in MX and CDK

  455. Open Benchmarks for Cheminformatics: First Performance Comparison Between CDK and MX

  456. Casual Saturdays: Bobby Tables

  457. Build a RESTful Chemical Registration System from Scratch Part 1 - Tools of the Trade

  458. Open Benchmarks for Cheminformatics: Working with Japex

  459. Merb on JRuby

  460. Exhaustive Ring Perception With MX

  461. JavaScript for Cheminformatics - Cross-Compiling Java to JavaScript with GWT Revisited

  462. The Electronic Laboratory Notebook Trap

  463. Scientific Journal to Require Wikipedia Summary Page of New Research Articles

  464. Exhaustive Ring Perception

  465. Reading and Writing SD Files With MX

  466. JavaScript for Cheminformatics - Calculate Molecular Mass in Your Browser Without Applets, Flash, or Other Plugins

  467. Mr. InChI - Tear Down This Wall

  468. JavaScript for Cheminformatics - Cross-Compiling Java to JavaScript with GWT

  469. Calculating Molecular Mass With MX - Using a Complete Hydrogen to Uranium System of Atomic Masses Linked to the Primary Literature

  470. Killer GitHub Feature: Visualizing Branch/Merge Activity in MX

  471. Open Benchmarks for Cheminformatics

  472. Choose Java for Speed

  473. Reading SMILES with MX

  474. Five Questions About the InChI Resolver

  475. Open Source Cheminformatics in Python with MX

  476. Flexible Depth-First Search With MX

  477. Goodbye Subversion, Hello Git and GitHub

  478. Getting Started with MX

  479. Casual Saturdays: Complexity

  480. ChemPhoto Beta-2

  481. Introducing MX - Lightweight and Free Cheminformatics Tools for Java

  482. SciFinder Web, Greasemonkey, and REST - Embracing Divergence in Chemical Information Systems

  483. Substructure Search From Scratch in Java Part 1 - The Atom Mapping Problem

  484. One of These Things is Not Like The Others

  485. Casual Saturdays: Business Plan

  486. Building ChemWriter - What to Do When Requesting Applet Keyboard Focus Leads to Disappearing Popup Windows

  487. Billions and Billions

  488. A Simple Vector Graphics API for Chemical Structure Output Part 1 - In Search of a Simplifying Approach for ChemPhoto

  489. Fast Substructure Search Using Open Source Tools Part 6 - Modelling a One-To-Many Relationship Between Fingerprints and Compounds in Ruby

  490. ChemPhoto Beta-1 Now Available

  491. Flying Coach

  492. Fast Substructure Search Using Open Source Tools Part 5 - Relating Molecules to Fingerprints with SQL

  493. Fingerprints and Atom-By-Atom Searches in Highly-Represented Substructure Queries

  494. Fast Substructure Search Using Open Source Tools Part 4 - Creating Fingerprints from Chemical Structures

  495. Casual Saturdays: Shoulders of Giants

  496. PubChem WTF #1

  497. Fast Substructure Search Using Open Source Tools Part 3 - A CRUD API for Fingerprints in Ruby

  498. Fast Substructure Search Using Open Source Tools Part 2 - Fingerprint Screen With SQL

  499. Fast Substructure Search Using Open Source Tools Part 1 - Fingerprints and Databases

  500. Name That Graph

  501. Recombining Compressed PubChem SD Files with Open Babel

  502. Install Open Babel Into Your Home Directory - You Don't Need Root

  503. Quoted in The Scientist: What Finding a Job Has To Do With the Future of Scientific Publication

  504. New Cheminformatics Blog: So Much To Do, So Little Time

  505. What Good is a Scientific Blog?

  506. Casual Saturdays: Blind Trust

  507. Don't Let the Sideshow Distract You: H.R. 6845 and What Comes After

  508. Crazy Idea #6,349: JavaScript in PDF

  509. Because Mistakes Happen: Giving ChemPhoto Some Poka-yoke

  510. Stack Overflow - Technical Discussion Forums and Modern Chemistry

  511. Book Review - Practical Prototype and script.aculo.us

  512. Casual Saturdays: Balkanization

  513. Your Favorite Chemical Spreadsheet

  514. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

  515. ChemPhoto Screenshots: Appearance of Structures and Browsing Large Collections

  516. Smarter Cheminformatics - From SD File to Image Collection with ChemPhoto

  517. Chrome and a V8: JavaScript Takes a Giant Leap Forward?

  518. Google Chrome: Rethinking the Browser - as an Operating System

  519. JavaScript for Cheminformatics - Atom Typing with Prototype and Iterators

  520. JavaScript for Cheminformatics - Using the Prototype Framework

  521. Adobe Flash for Cheminformatics: Chemul, a 3D Structure Viewer

  522. Encapsulated PostScript for Cheminformatics

  523. Casual Saturdays: There is No Shelf

  524. Grand Challenges in Cheminformatics

  525. Eight Talks I'd Like to See in Philadelphia

  526. Casual Saturdays: Mundaneum

  527. Building WebSpex - Putting Custom Data Types In Their Place

  528. Validating CAS Numbers

  529. Vector Markup Language for Cheminformatics

  530. JavaScript for Cheminformatics: An Introduction to WebSpex, a Spectroscopy Tool for the Internet

  531. JavaScript for Cheminformatics

  532. Casual Saturdays: Kinetic Sculpture

  533. 3D Molecule Viewer on the iPhone

  534. Extending InChI Stereochemistry

  535. Scientific Commons: Cleaning Up Science's Basement

  536. Casual Saturdays: How Important is Science Education?

  537. Open Babel 2.2.0

  538. Building Chempedia: Learning About Contributors

  539. ChemWriter 1.3.1

  540. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  541. 3D Molecular Visualization on the Web: OpenAstexViewer

  542. Screencast: Drawing Structures Quickly With ChemWriter

  543. Better Structure Drawing With ChemWriter 1.3.0

  544. Casual Saturdays: A Thousand Years of Darkness

  545. Extreme Data Visualization

  546. Chemistry, The Web, and Netflix

  547. Adobe Flash for Cheminformatics - Fast, Scalable, and Attractive 2D Depiction of Chemical Structures with Vector Graphics

  548. Casual Saturdays: Google AppEngine

  549. The Other Vector Graphics Markup Language

  550. ACS Responds to Request For Information on the New NIH Public Access Policy

  551. A Simple and Portable Ruby Interface to InChI Part 2 - Silencing Console Output

  552. A Simple and Portable Ruby Interface to InChI

  553. Simple CAS Number Lookup (and More) with Chempedia

  554. Small Molecule 3D Coordinates From PubChem

  555. Building Chempedia: Social Networking Applied to Chemistry

  556. Free Web-Based Proton NMR Prediction and Assignment with NMRDB

  557. Building Chempedia - Resizable Structures With ChemWriter

  558. Casual Saturdays: Thinking Inside the Box

  559. Building Chempedia: The Human Element

  560. The Daily Molecule: The Wonders of Chemistry - One Molecule at a Time

  561. Building Chempedia - Start Simple, Then Iterate

  562. The Economics of Free: Chris Anderson on Charlie Rose

  563. Building a Unique Chemistry Journal - Responses to Questions from Nature Chemistry

  564. 1908 and All That: The Long Tail and Chemistry

  565. Hacking DOI - Interconvert Bibliographic References and DOIs with CrossRef and OpenURL

  566. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  567. Just a Flesh Wound

  568. Building Chempedia - Indexing Wikipedia's 6,411 Compound Monographs

  569. Solve Web Application Scaling Problems With Signed Applets

  570. CampDepict: Building a Simple SMILES Depict Web Application With JRuby, Structure CDK, and Camping

  571. Thinking of Founding a Science Startup? Look to What's Getting Cheaper

  572. Building a Technology Company the Old-Fashioned Way

  573. Is reCAPTCHA Trying to Tell Me Something?

  574. User-Created Compound Monographs on Chempedia.net - Open Sourcing the Collation and Indexing of Chemical Information

  575. Yet Another Free Chemistry Database: Pherobase

  576. ACS and the NIH Public Access Policy - Clarification at Last

  577. Chempedia.net - Mashing Up PubChem and Wikipedia

  578. Wikipedia for Cheminformatics - A Simple Web API for Finding CAS Numbers in Compound Monographs

  579. Casual Saturdays: Periodicity is Just a Theory

  580. ACS Loses $27 Million Case Against Leadscope

  581. NetBeans 6, Ruby, and Rails: A Surprisingly Effective Combination

  582. Five Open Tools for 2D Structure Layout (aka Structure Diagram Generation)

  583. Open Access: Think Globally, Act Locally

  584. NIH Hears Publisher Feedback on Open Access Mandate

  585. Cheminformatics Puzzler #1

  586. Startup School 2008 at Stanford

  587. Crunch Time - Can NIH Grant Recipients Still Publish in ACS Journals?

  588. Demystifying Java Applets Part 3 - Failing Gracefully When Your Users Don't Have Java

  589. Demystifying Java Applets Part 2 - DRY Deployment with the Javay Method

  590. Casual Saturdays: When Broken is a Way of Life

  591. Demystifying Java Applets, Part 1 - Cross-Browser, Standards-Compliant, Pure HTML Deployment Using the Object Tag

  592. How Would Your Cheminformatics Tool Do This?

  593. Casual Saturdays: APOD

  594. The Art and Science of Chemical Structure Diagrams - ChemWriter as Chemically-Aware Vector Graphics System

  595. The Art and Science of Chemical Structure Diagrams: Double Trouble

  596. Swing Sightings: SciFinder Web Version

  597. Casual Saturdays: Steampunk

  598. The Paper Laboratory Notebook: Chemistry's Most Ancient Data Tomb

  599. Testing Automatic Chemical Structure Recognition with OSRA

  600. The Chemically-Enabled User Interface: An Introduction to Leafcutter

  601. How Would Your Cheminformatics Tool Do This?

  602. Raiding Chemistry's Data Tombs

  603. Casual Saturdays: Nano

  604. Hacking JSpecView - Enhancing the User Interface

  605. Molecule of the Day: Carminic Acid

  606. The Quiet Revolution in Scientific Peer-Review: An Introduction to Research Blogging

  607. Filthy Rich Clients

  608. Hacking JSpecView - Creating an HTML Test Harness

  609. Casual Saturdays: Pareidolia

  610. How Would Your Cheminformatics Tool Do This?

  611. Swing Sightings: LigandScout

  612. Hacking JSpecView - Getting Organized with Ant

  613. An Introduction to JSpecView

  614. The New Scientific Publishers

  615. Casual Saturdays: Verge

  616. How Would Your Cheminformatics Tool Do This?

  617. Chemistry's Oldies but Goodies - Direct to Your Desktop

  618. Swing Sightings: Chenomx NMR Suite

  619. Science Blogging Anthology Now in Print

  620. ChemWriter Now Available for Download

  621. Casual Saturdays: Nanosolar

  622. My Favorite Eclipse Shortcut - Quick Fix

  623. How Would Your Cheminformatics Tool Do This?

  624. Subscribe to Depth-First by Email

  625. The Fundamental Cheminformatics Toolset

  626. Depth-First Article to Appear in Science Blogging Anthology

  627. A New Beginning or More of the Same?

  628. If You Want to Change the World, Build the Tool First - Part 2

  629. If You Want to Change the World, Build the Tool First - Part 1

  630. How Would Your Cheminformatics Tool Do This?

  631. Casual Saturdays: Entrepreneurship

  632. Security and the Online Chemical Catalog

  633. Simple 3D Conformer Generation with Smi23D

  634. How Would Your Cheminformatics Tool Do This?

  635. Run Babel Anywhere Java Runs with JBabel

  636. Casual Saturdays: Daybreak

  637. Forty-Eight Free QSAR Datasets (and More)

  638. How Would Your Cheminformatics Tool Do This?

  639. Signal to Noise and the Chemistry Blog

  640. From C Source Code to Platform-Independent Executable Jarfile - Using NestedVM to Build JInChI

  641. Casual Saturdays: Perspective

  642. How Would Your Cheminformatics Tool Do This?

  643. How Would Your Cheminformatics Tool Do This?

  644. SMILES and Aromaticity: Broken?

  645. ChemWriter, Chemical Structures, and the Web

  646. Compiling Open Babel to Pure Java Bytecode with NestedVM - Building A Runnable Classfile that Almost Works

  647. Casual Saturdays: Hackintosh

  648. How Would Your Cheminformatics Tool Do This?

  649. Simple Installation of Rubidium

  650. Write Once, Run Anywhere: Simplifying Java Applet Deployment

  651. Compiling Open Babel to Pure Java Bytecode with NestedVM - An Unsuccessful First Attempt

  652. Casual Saturdays: Cynical Dreamer

  653. Why Web Development is Hard

  654. PerlMol: A Case Study in Open Source Cheminformatics Software

  655. Making the Case: OpenSMILES

  656. Create Your Own PubChem Datasets - Exporting Results As SD Files

  657. Parsing SD Files with Ruby and Rubidium

  658. Casual Saturdays: How Television Works

  659. The Business Case for Open Source and the Small Company

  660. How Would Your Cheminformatics Tool Do This?

  661. Paginated Archives in Radiant CMS: The Power of Minimal But Extendable Systems

  662. Cheminformatics for Ruby - Getting Started with Rubidium

  663. How Would Your Cheminformatics Tool Do This?

  664. Casual Saturdays: Wikipedia in 2001

  665. Eolas and jActivating - Working Around a Workaround

  666. How Would Your Cheminformatics Tool Do This?

  667. JInChI - Run InChI Anywhere Java Runs

  668. How Would Your Cheminformatics Tool Do This?

  669. Compiling the InChI Toolkit to Pure Java Bytecode with NestedVM

  670. Casual Saturdays: The Four Elements

  671. Building Rubidium - Creating a RubyForge Project Space

  672. Casual Saturdays: Vishnu

  673. Easily Convert IUPAC Nomenclature to SMILES, InChI, or Molfile with Rubidium

  674. How Would Your Cheminformatics Tool Do This?

  675. Yet Another Free Chemistry Database: Sigma-Aldrich Reaction Search

  676. An Introduction to the Rubidium Cheminforamtics Toolkit - Interconvert SMILES, InChI, and Molfile with an Open Babel-Like Interface

  677. Casual Saturdays: Argument Clinic

  678. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  679. How Would Your Cheminformatics Tool Do This?

  680. Open Access Business Models That Can Actually Work - Sigma-Aldrich's ChemBlogs

  681. JRuby for Cheminformatics - Reading and Writing InChIs Via the Java Native Interface

  682. JRuby for Cheminformatics - Parsing SMILES Simply

  683. Five Reasons to Start Using JRuby Now

  684. Casual Saturdays: Truthiness

  685. What Makes Wikipedia Tick?

  686. Ruby CDK for Newbies

  687. Designing the Obvious: Permalinks and Paradigms

  688. Can Your Cheminformatics Tool Do This?

  689. Streamlining Cheminformatics on the Web - Let InChI Do the Heavy Lifting and Get Some REST

  690. Casual Saturdays: Wwwwwipeout

  691. Designing the Obvious

  692. InChI for Newbies

  693. PubChem for Newbies

  694. Hacking PubChem - Visually Inspect Results for CAS Number and Keyword Searches

  695. Building the Chemically-Aware Web - TotallySynthetic and InChIMatic

  696. Casual Saturdays: M.C. Escher in Legos

  697. Taming the Wild Things

  698. Ruby CDK One-Liners - Create a Molfile With 2D Atom Coordinates From Arbitrary SMILES Strings

  699. Easily Calculate TPSA Descriptors from SMILES Strings Using Ruby CDK

  700. Six Reasons I Like reCAPTCHA, or How to Build a Web Service Worth Talking About

  701. Hacking ChemSpider - Query by SMILES and InChI with Ruby

  702. Casual Saturdays: On Conformity

  703. Name That Graph

  704. Hacking PubChem - Convert CAS Numbers into PubChem CIDs with Ruby

  705. The Forward Pass Has Been Legalized - Will You Use It?

  706. OwnTerms: Legal Templates for the Rest of Us

  707. Rethinking Chemistry Publications - Nature Protocols Makes the Experimental Section a First-Class Citizen

  708. Casual Saturdays: Pretty Cool, Huh?

  709. Science Meets YouTube: Embedded JoVE Videos

  710. From InChI to Image with Ruby Open Babel and Ruby CDK

  711. Name That Graph Revealed - Oligarchy 2.0

  712. Modern Approaches to Data Visualization

  713. Fighting Spam on the Cheap with CAPTCHA - A Simple Ruby Library for captchas.net

  714. Fighting Comment Spam on the Cheap with CAPTCHA

  715. Cheminformatics in Korean: An Example of Scientific Self-Organization

  716. Name That Graph

  717. From the ACS Exposition - Aureus Turns Published Biological Screening Data Into Information

  718. Never Draw the Same Molecule Twice - Writing PNG Image Metadata with Python

  719. ScienceHack: YouTube Meets Chemistry

  720. The Long Tail and Chemistry - Why So Many ACS Meeting Talks are 'Uninteresting'

  721. Thinking of Starting an Anonymous Science Blog? Five Reasons to Think Again

  722. Five Ways to Use PubChem Right Now

  723. Googling for Molecules with InChIMatic and Firefly

  724. Java Interface to PubChem's Power User Gateway

  725. The Best API May Be No API At All - PubChem and PDB

  726. James Gosling Unplugged

  727. Ten Things That Surprised Me About Blogging

  728. Never Draw the Same Molecule Twice: Viewing Image Metadata

  729. Name That Graph

  730. Yale University Libraries Cancel BioMed Central Membership in the Face of Spiraling Costs

  731. The Best 55 Online Periodic Tables

  732. Advice to Job-Seekers from C&E News - Blog Thyself

  733. Never Draw the Same Molecule Twice: Image Metadata for Cheminformatics

  734. Conversations with James

  735. Editable and Searchable 2D Molecular Images

  736. The Journal Deadpool: Failing Business Models and Sick Markets in Scientific Publishing?

  737. Top Ten Best-Selling Drugs Worldwide (2006)

  738. Everything Old is New Again - Wiswesser Line Notation (WLN)

  739. Building a Molecule Preview with Firefly - The Joy of Swing

  740. Go West, Young Man - Does Open Access Really Matter in the Long Run?

  741. Making Your 2D Structures Look Good: Firefly, Styles and Stylesheets

  742. Waldorf Salad

  743. Yet Another Free Chemistry Database: Heterocycles Web Edition

  744. PubChem is a Platform

  745. Manage Your Bibliography with Firefox and Zotero

  746. Starting, Quitting, and Finishing

  747. Easily Convert Publisher URLs and DOIs to Bibliographical Citations - Synthesis, Synlett, Ruby, and Mechanize

  748. Interconvert (Almost) Any SMILES and InChI with Ruby Open Babel

  749. Hacking CiteULike - Metascripting with Ruby and Session

  750. Open Notebook Science Using InChIMatic

  751. Everything is Miscellaneous

  752. We Don't Need No Stinkin' Copyright

  753. Yet Another Free Chemical Database: Reaction Searching with CMLD-BU

  754. Buggotea: The Problem with Abundance

  755. Can Your Cheminformatics Tool Do This?

  756. Hacking PubChem - Learning to Speak PUG

  757. Hacking PubChem - Power User Gateway

  758. Open Access in Organic Chemistry

  759. RESTful Cheminformatics

  760. Just Say 'No' to Pentavalent Carbon

  761. Flex, Rich Internet Applications, and Cheminformatics

  762. Name That Graph

  763. Simple CAS Number Lookup with PubChem

  764. My InChI Runneth Over

  765. Interactive Ruby Open Babel

  766. Scientific Publication and the Seven Deadly Sins

  767. Hashing InChIs

  768. Free Chemistry Databases on the Web: Creating a Comprehensive Guide

  769. Update: InChI Canonicalization Algorithm

  770. A Chemical Structure Editor for the Web: Four Screenshots of a Firefly Prototype

  771. Golden Rules for Open Source

  772. Strings and Things

  773. A Chemical Structure Editor for the Web - Firefly's Two Audiences

  774. Update: Four Free 2-D Structure Editors for Web Applications

  775. Self-Referential

  776. A 2D Chemical Structure Editor for the Web - Embracing Constraints in Firefly

  777. The Structure Editor: (Forgotten) Link Between Chemistry and Cheminformatics

  778. Roll Your Own Chemical Database With Free Components

  779. Structure Diagram Generation

  780. Painless Installation of Ruby Open Babel

  781. Can Your Cheminformatics Tool Do This?

  782. Creating Canonical SMILES with Ruby Open Babel

  783. The Aesthetics of Chemical Structure Diagrams

  784. Rethinking the Command Line for Chemistry

  785. Source Code, Science, and Advertising

  786. Why I Still Don't Use Connotea

  787. SciLink: Science Meets Facebook

  788. Customize InChI Output with Rino

  789. Software, Science, and Startups

  790. Do You Use the Command Line?

  791. Eleven Qualities of The Perfect Line Notation for the Web

  792. From IUPAC Name to Molecular Formula with Ruby CDK

  793. Web 2.0 and Chemistry

  794. Yet Another Free Chemistry Database: FooDB

  795. Why the Web Isn't Ready for Chemistry

  796. Bountiful Quantities of Useless Features

  797. Bryan Vickery on What's Broken in Cheminformatics

  798. Googling for Molecules: New and Improved InChIMatic

  799. InChI Spam

  800. Making the Case - Flux-2

  801. The Power of Simple

  802. Octet Fundamentals - Immutable Molecules

  803. Google for Molecules with InChIMatic

  804. Twist and Shout

  805. Woz on Design and Constraints

  806. What's Broken in Cheminformatics?

  807. Mongrel and Rails: It's Just not Fair

  808. Octet Fundamentals: A Documented System of Atomic Masses

  809. How to Fail in Science (or Anything Else)

  810. A Molecular Language for Modern Chemistry: Reading FlexMol Documents with Octet

  811. An Object-Oriented Framework for Molecular Representation: Getting Started with Octet

  812. How to Find Chemical Information on the Internet: Why Open Source, Open Access, and Open Data Matter

  813. A Molecular Language for Modern Chemistry: FlexMol, Tetrahedral Chirality, and Monolaterol

  814. Thirty-Two Free Chemistry Databases

  815. Making the Case: Topological Maximum Cross Correlation

  816. A Molecular Language for Modern Chemistry: FlexMol and Planar-Chiral Metacyclophanes

  817. Making the Case: Personal Chemistry Client

  818. Collective Intelligence and the Dumbness of Crowds

  819. A Molecular Language for Modern Chemistry - Cisplatin, Transplatin, and Molecular Configuration

  820. The Scientific Debate: Digg Meets Science?

  821. ChemRefer: Free Direct Access to the Primary Literature

  822. Decoding InChIs: An Introduction to Ninja

  823. FlexMol and Axial Chirality: N-Arylacrylanilides

  824. A Molecular Language for Modern Chemistry: FlexMol and Axial Chirality

  825. The Axial Chirality Problem

  826. From Famine to Feast: A Bumper Crop of Free Chemistry Databases

  827. Copyright 2.0 and Open Science

  828. Open Source and Open Data: Why We Should Eat Our Own Dogfood

  829. A Molecular Language for Modern Chemistry: FlexMol and Alkene Geometrical Isomerism

  830. Dispelling Open Source Confusion: An Introduction to Licenses

  831. Making the Case: In Silico Prediction of Ames Test Mutagenicity

  832. The (Chemical Information) World is Flat

  833. Scaffolding

  834. A Molecular Language for Modern Chemistry: Getting Started with FlexMol

  835. Ferrocene and Beyond: A Solution to the Molecular Representation Problem

  836. Anatomy of a Cheminformatics Web Application: Structure Cleanup in Java Molecular Editor

  837. Anatomy of a Cheminformatics Web Application: InChIMatic

  838. Making the Case: Similarity by Compression

  839. The Problem with Ferrocene

  840. Hacking Molbank: Creating a Graphical Table of Contents

  841. BioRails

  842. Source Code Documentation in Ruby: RDoc for Ruby CDK

  843. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  844. Hacking Molbank: Downloading a Complete Chemistry Journal

  845. Molbank and the Convergence of Open Access, Open Data, and Open Source in Chemistry

  846. We Have Met the Enemy and He Is Us

  847. The Open Access Ecosystem

  848. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  849. Scripting Molecular Fingerprints with Ruby CDK

  850. Build a Rails Cheminformatics Application in Thirty Minutes

  851. Unchaining Chemistry from the Desktop

  852. Visualizing Cheminformatics Algorithms

  853. Electric Cars and Open Access

  854. Diversity-Oriented Chemical Informatics

  855. Eleven Free Cheminformatics Scripting Environments

  856. Cheminformatics for the Web: Convert SD Files to HTML with Ruby CDK

  857. Name That Graph

  858. Look Ma, No Applets!

  859. Debabelization

  860. Twelve Free Chemistry Databases

  861. Stone Soup

  862. From SMILES to InChI with OBRuby

  863. Stone Knives and Bear Skins

  864. OBRuby: A Ruby Interface to Open Babel

  865. Agile Chemical Informatics Development with CDK and Ruby: RCDK-0.3.0

  866. More Open Access in the Sciences: Metal-Based Drugs and Hindawi Publishing

  867. Scripting Java with Ruby: Yet Another Java Bridge

  868. Making the Case: Milestones in Bio- and Chem(o)informatics

  869. Metaprogramming with Ruby: Mapping Java Packages Onto Ruby Modules

  870. Molecular Style Sheets: Combining SVG and CSS

  871. Disruptive Innovation in Scientific Publishing: Free Journal Management Systems

  872. Disruptive Innovation in Scientific Publishing: Directory of Open Access Journals

  873. From IUPAC Nomenclature to 2-D Structures With OPSIN

  874. Compiling C to Java Bytecode

  875. Decoding IUPAC Names With OPSIN

  876. Making the Case

  877. Running Ruby Java Bridge on Windows

  878. Software That Just Works

  879. Hacking PubChem: Direct Access with FTP

  880. Hacking PubChem: Free Speech or Free Beer?

  881. Looking at InChIs

  882. CDK, the Ruby Way: RCDK-0.2.0

  883. Hacking PubChem: Entrez Programming Utilities

  884. Mashups for Fun and Profit

  885. Hacking PubChem: Why The Open Access Fight is Just the Beginning

  886. Hacking PubChem: Query by SMILES

  887. Point and Shoot Chemical Informatics Software

  888. Decoding InChIs with Rino

  889. Toward an Open, Worldwide Chemical Information Network

  890. Taking a SWIG of InChI

  891. CDK, the Ruby Way

  892. The Chemically-Aware Web: Are We There Yet?

  893. Visualizing IUPAC Names with ChemNomParse

  894. Chemical Nomenclature Translation

  895. Generating and Serving 2-D Molecular SVGs

  896. Chemical Reviews on Wikipedia

  897. Rendering Molecules with SVG on the Web

  898. The Automatic Encoding of Chemical Structures

  899. Hacking NMRShiftDB

  900. Peculiarities of Chemical Information

  901. Humanizing Line Notations

  902. Hacking PubChem with Ruby

  903. Drawing 2-D Structures with Structure-CDK

  904. From SMILES to InChI: Rino, CDK, and Ruby Java Bridge

  905. Scripting Java Libraries with Ruby Java Bridge

  906. Computational Perception and Recognition of Digitized Molecular Structures

  907. Scripting CDK with JRuby

  908. Readily Available, Without Infringements or Restrictions

  909. Scripting Octet with JRuby

  910. Four Free 2-D Structure Editors for Web Applications

  911. Opportunities for Alternative Suppliers of Secondary Chemical Information

  912. A First Look at Modular Chemical Descriptor Language (MCDL)

  913. History of Abstracting at Chemical Abstracts Service

  914. 107 Years of Line-Formula Notations (1861-1968)

  915. Ruby and InChI: The Rino Library

  916. Reading Behavior of Chemists

  917. ChemRuby First Look

  918. Changes

  919. InChI Canonicalization Algorithm