Archive

  1. Naive Balsa Canonicalization

  2. Balsa Reference Implementation

  3. Direct Molecular Translation

  4. Reading CTfiles with CTcore

  5. CTfile Character Encoding

  6. Dealing with Delocalization

  7. Beyond Stereochemical Templates

  8. Toward a Standard InChI Formal Grammar

  9. Element-to-Atom Mapping in InChI

  10. Trey: A Toolkit for V3000 Molfiles and RGfiles

  11. Introducing Balsa

  12. 18 SMILES Problems as Seen through Twitter Polls

  13. ProtoSMILES

  14. A Dedicated Library for Reading and Writing V3000 CTfiles

  15. TUCAN Canonicalization Revisited

  16. TUCAN Canonicalization

  17. Molecular Identification with TUCAN

  18. An Introduction to DataWarrior

  19. Python Extensions in Pure Rust with Rust-CPython

  20. Big Reaction Data

  21. V3000 Molfile Enhanced Stereochemistry Representation

  22. Graphs from Scratch in Python

  23. Penny Codes

  24. Stereochemistry and the V2000 Molfile Format

  25. A Beginner's Guide to Parsing in Rust

  26. MDL Valence-Mageddon

  27. Ten Reasons to Adopt the V3000 Molfile Format

  28. Typed JavaScript

  29. Types without TypeScript

  30. Molecular Graph Canonicalization

  31. Beyond SMILES

  32. A Rust PostgreSQL Extension for CAS Numbers

  33. Postgres Extensions in Rust

  34. The RDKit/Postgres Ordered Substructure Search Problem

  35. Running the RDKit Postgres Cartridge with Docker

  36. The Trouble with Hückel

  37. Writing Aromatic SMILES

  38. Delocalization-Induced Molecular Equality

  39. Molecular Assembly Index

  40. Standard InChI

  41. Of Zero-Order Bonds and Bonding Systems

  42. InChI Syntax

  43. An Introduction to the ChemDraw CDXML Format

  44. Running InChI Anywhere with WebAssembly

  45. Parsing InChI: It's Complicated

  46. Purr: A SMILES Toolkit for Rust

  47. Fast Hydrogen Counting in SMILES

  48. Benchmarking Iteration from a Rust Trait

  49. Matched Molecular Pairs

  50. SMILES Formal Grammar Revisited

  51. Abstract Syntax Trees for SMILES

  52. A Workbench for Machine Learning in Chemistry

  53. SMILES Reading Performance: RDKit vs ChemCore

  54. Start Seeing Valence and Core Electrons

  55. Running a SMILES Validation Benchmark

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

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

  58. Getting Started with DeepChem

  59. Saying No to Browser UI Frameworks

  60. A Smallest Set of Smallest Rings

  61. SMILES Validation in the Browser

  62. Getting Started with RDKit and Jupyter

  63. Python Extensions in Pure Rust with PyO3

  64. Wrapping Rust Types as Python Classes

  65. A Guide to Molecular Standardization

  66. Reading Large SDfiles in Rust

  67. The SDfile Format

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

  69. Compiling Rust to WebAssembly: A Simple Example

  70. Returning Rust Iterators

  71. OxMol: Rust/Python Bindings for ChemCore

  72. Hydrogen Suppression in SMILES

  73. ChemCore: A Cheminformatics Toolkit for Rust

  74. Let's Build a SMILES Parser in Rust

  75. Hydrogen Suppression in Cheminformatics

  76. Cheminformatics in Rust: Implementing a Minimal Molecule API

  77. Stereochemistry and Atom Parity in SMILES

  78. Multi-Atom Bonding in Cheminformatics

  79. SMILES Formal Grammar

  80. Hydrogen Suppression in Molfiles

  81. A Minimal Molecule API

  82. COVID MoonShot

  83. Azithromycin and COVID-19

  84. Formal Charge and Bond Order are Side Effects

  85. A Brief Introduction to Graph Convolutional Networks

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

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

  88. Graphs in Rust: Introducing Gamma

  89. A Comprehensive Treatment of Aromaticity in the SMILES Language

  90. Graphs in Rust: An Introduction to Petgraph

  91. Rust Ownership by Example

  92. Rust for Cheminformatics

  93. First Steps in WebAssembly: Hello World

  94. A Minimal Graph API

  95. Virtual Hydrogens

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

  97. Security Theater and the Blockchain Project

  98. Compiling InChI to WebAssembly Part 1: Hello InChI

  99. JavaScript for Cheminformatics, Part 2

  100. The SMILES Substructure Search Fallacy

  101. The Maximum Matching Problem

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

  103. Class-Free Object-Oriented Programming

  104. The Language of Organic Chemistry

  105. Distributed Chemistry

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

  107. The NextMove Patent Reaction Dataset

  108. Scanner-Driven Parser Development

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

  110. Computing Extended Connectivity Fingerprints

  111. The Horrifying Future of Scientific Communication

  112. Planes, Trains, and Organic Syntheses

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

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

  115. A Second Failed Test of ACS Articles on Request

  116. Chemical Structure Copy and Paste Problems

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

  118. Solving Organic Chemistry's Oldest Problem

  119. Evernote as an Electronic Lab Notebook (ELN)

  120. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  123. Copyright for Chemists

  124. Anonymous Science and the Survival of BlogSyn

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

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

  127. Reshoring Pharma Jobs

  128. Ambassador for Chemistry?

  129. How to Get a Job Like Mine

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

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

  132. Two Windows are Better Than One

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

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

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

  136. Why Organic Chemistry is Like Facebook

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

  138. Why ACS Must Come Clean on Journal Publication Costs

  139. Education of a Scientist

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

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

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

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

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

  145. Understanding the PyMOL User Interface

  146. Install PyMOL on Mac OS X Snow Leopard

  147. Install PyMOL on Windows

  148. Install PyMOL on Ubuntu Linux

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

  150. An Introduction to Foldit

  151. Easily Install PyMOL on Mac OSX

  152. How to Validate CAS Registry Numbers in JavaScript

  153. Display Inline SVG Using the <img> Tag

  154. Similarity-Potency Trees

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

  156. Shoreline: A Google Closure Project Template

  157. Sixty-Four Free Chemistry Databases

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

  159. Learn WebGL by Building a 3D Molecule Viewer

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

  161. Changes

  162. Drugable.com: Web Software for Drug Discovery

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

  164. Standardization in Lab Automation: The SiLA Consortium

  165. Really Drug-Like Molecules

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

  167. Jmol Without Applets Using Websockets

  168. PicoSpin and the Incredible Shrinking Lab

  169. WebGL and What It Means for Chemistry

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

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

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

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

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

  175. Name That Graph

  176. Just Add Points?

  177. The Mysterious Google Chrome SVG Bug Revisited

  178. 200 Countries and 200 Years in 4 Minutes

  179. The Mysterious Google Chrome SVG Bug

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

  181. Atom Labels Now Available in ChemWriter 2

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

  183. Inkspot Science - Pipeline Pilot for the Cloud?

  184. Google Closure - Building Complex Applications with JavaScript

  185. Building ChemWriter 2 - Pivotal Tracker for Project Management

  186. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  187. Jeux Sans Frontieres

  188. ChemWriter 2 Preview

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

  190. The ACS Versus Leadscope Case

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

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

  193. Predicting Synthetic Accessibility

  194. Name That Graph

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

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

  197. The FDA Unique Ingredient Identifier (UNII)

  198. A Lightweight and Portable Java Interface to InChI

  199. Freeform Natural Laws from Experimental Data

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

  201. Poster at the CDD Community Meeting

  202. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  204. Software Downsizing

  205. Node.js

  206. A Brief Introduction to Lawson Numbers

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

  208. Reading and Translating ChemDraw CDX Files with OpenBabel

  209. A Brief Introduction to the ChemDraw CDX File Format

  210. Scrum in Under Ten Minutes

  211. The Graph Traversal Programming Pattern

  212. Goodbye Paper, Hello Mendeley

  213. NoSQL is Web Scale [NSFW]

  214. Google Does a Spinning Molecule Thingie

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

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

  217. Visual Representation of Query Structures

  218. Whyday and Putting Away Your Best Practices

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

  220. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  222. Building ChemWriter 2 - JavaScript All the Way Down

  223. Mirroring PubChem the Easy Way with PubChem Fu

  224. Rational, Self-Maximizing Actors

  225. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  229. Latest CTFile Formats Specification Available Now from Symyx

  230. 1981 Time Capsule: The Future of Newspaper Publication

  231. The Avalanche of Low-Quality Research?

  232. What About Chempedia?

  233. HTML 5, Mobile Devices, and Chemistry

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

  235. Chemical Inventory Systems: Cheminformatics' Problem Child?

  236. Gigabytes of Chemical Information - Now Free for Download

  237. Chemistry Has a Long Tail - Deal With It

  238. How To Kill the DOI System

  239. Two Chemistry Apps for Mobile Devices

  240. Cheminformatics in JavaScript: JChemHub

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

  242. Awesome People: Andrew Warner

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

  244. Wise People

  245. Practical Chemistry on the Web

  246. The Scientist's Dilemma

  247. Wiley DOI Fail

  248. Wanted: A Few Good Chemists

  249. InChI 1.03 Prerelease

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

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

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

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

  254. Chempedia at the Spring ACS

  255. Jeux Sans Frontieres

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

  257. Smaller, Cheaper, More Powerful

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

  259. Why is Chempedia Lab Failing?

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

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

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

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

  264. Quote of the Week: Print References

  265. Everything Old is New Again: WLN in PubChem

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

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

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

  269. PubCouch: Create Your Own Custom PubChem Subset

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

  271. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  272. PubCouch: A CouchDB Interface to PubChem

  273. The Future of PyMOL

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

  275. StructureDB - A Profiling Session

  276. Talking About Chempedia and the Future of Scientific Communication

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

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

  279. Pinpoint Performance Problems with Google Speed Tracer

  280. JavaScript Survival: Screw.Unit

  281. Casting a Wide Net in Cheminformatics

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

  283. Chempedia Data Downloads: Free as in Free

  284. A Clean, Well-Lit Place for Spectra

  285. Warren DeLano

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

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

  288. Chempedia Launch Day Wrapup

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

  290. Building Chempedia: Heroku, DNS, and Propagation

  291. Welcome to Chempedia!

  292. Avogadro 1.0

  293. Tech Fridays: The Web That Wasn't

  294. Chempedia: A Social Medium for Chemical Information

  295. Building Chempedia - Heroku Deployment First Impressions

  296. Tech Fridays: Galaxy Zoo

  297. The SMILES Antipattern

  298. The Future of Scientific Publication - Role Reversal Ahead

  299. Tech Fridays: Google Web Toolkit

  300. Building Chempedia: Deployment with Heroku and EC2

  301. Drug Discovery on the Web

  302. Last Chance to Win a ChemWriter Domain License

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

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

  305. Is the Electronic Laboratory Notebook Doomed?

  306. A RESTful Interface for Toxicity Prediction

  307. Tech Fridays: Google Chrome Frame

  308. Win a Free ChemWriter License for Your Site

  309. Reverse Auction for Specialty Chemicals

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

  311. Casual Saturdays: Optimistic Design

  312. Tech Fridays: PubSubHubbub

  313. Stereochemistry Puzzler: Answers

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

  315. Stereoisomer Generation

  316. Casual Saturdays: Extreme Testing

  317. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  323. Human Computing

  324. The RESTful Chemical Tracking System Part 2 - Resources

  325. The RESTful Chemical Tracking System Part 1 - Introduction

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

  327. Chemical Information and Marketing

  328. Molecular Modeling for Average Joes

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

  330. Casual Saturdays: Never Assume

  331. Linked Chemical Data @ Google TechTalks

  332. Graph Databases and Cheminformatics - Neo4j

  333. Chemcaster - The REST Web API for Cheminformatics

  334. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  336. MX-1.0 Beta 2

  337. Hashing and the Universal Molecular Identifier

  338. Always Be Testing: Using Mockito in MX

  339. Casual Saturdays: Bird's Eye

  340. Porting MX - CDK-Compatible VF Implementation

  341. Innovation: What Thinking Outside the Box Actually Means

  342. 3D Molecular Visualization with Avogadro

  343. Casual Saturdays - Turtles All The Way Down

  344. Open Source Cheminformatics Tools and Data

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

  346. Beginning of the End for ACS Journal Print Editions

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

  348. Nifty GitHub Features: Integrated Issue Tracking

  349. Casual Saturdays: Linked Data

  350. MX-1.0 Beta 1

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

  352. Small Libraries and GitHub: Applet-Fu

  353. On This Day In Organic Chemistry, 1874

  354. RESTful Substructure Search

  355. Painless Source Code Highlighting with Prettify

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

  357. Name That Graph

  358. Still More Free Chemistry Databases and Web Services

  359. Forking ONS Challenge Solubility Code on GitHub

  360. Downloadable eMolecules Datasets

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

  362. Casual Saturdays: Repurpose

  363. Updating Ruby CDK

  364. Science Doesn't Need Journals

  365. Building Chemistry Communities

  366. Learning from StackOverflow: Building Chemistry Communities

  367. Scientific Blogging - Ignore It and Be Ignored?

  368. Casual Saturdays: Correlation

  369. The First InChIKey Collision

  370. CouchDB for Chemistry

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

  372. Antisocial Journals

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

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

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

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

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

  378. ACS To Suspend Print Publication of All Journals

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

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

  381. Casual Saturdays: Building Blocks

  382. Cheminformatics, Crowds, and Cha-Ching

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

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

  385. Casual Saturdays: Twittervision

  386. What's Up With Chempedia?

  387. Sixty-Four Free Chemistry Databases

  388. Casual Saturdays: What's Phase 2?

  389. Interconvert Database Formats in Rails with YamlDB

  390. Substructure Search Idoms: Hydrogen Means Block Substitution

  391. The Bikeshed Effect

  392. $299 ChemWriter Domain Licenses During March

  393. Broken Business Models and Bailouts

  394. Cheminformatics and Micropublication in Chemistry

  395. What the Heck is RDF?

  396. What the Heck is the Semantic Web?

  397. Zusammen: The Other Half of the Story

  398. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  401. Casual Saturdays: Popular Belief

  402. Chemical Substructure Search in SQL

  403. Chemical Informatics Guys Don't Get It

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

  405. Web-Centric Science

  406. Scaling Up Scientific Conversation

  407. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  411. Casual Saturdays: Bobby Tables

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

  413. Open Benchmarks for Cheminformatics: Working with Japex

  414. Merb on JRuby

  415. Exhaustive Ring Perception With MX

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

  417. The Electronic Laboratory Notebook Trap

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

  419. Exhaustive Ring Perception

  420. Reading and Writing SD Files With MX

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

  422. Mr. InChI - Tear Down This Wall

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

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

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

  426. Open Benchmarks for Cheminformatics

  427. Choose Java for Speed

  428. Reading SMILES with MX

  429. Five Questions About the InChI Resolver

  430. Open Source Cheminformatics in Python with MX

  431. Flexible Depth-First Search With MX

  432. Goodbye Subversion, Hello Git and GitHub

  433. Getting Started with MX

  434. Casual Saturdays: Complexity

  435. ChemPhoto Beta-2

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

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

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

  439. One of These Things is Not Like The Others

  440. Casual Saturdays: Business Plan

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

  442. Billions and Billions

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

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

  445. ChemPhoto Beta-1 Now Available

  446. Flying Coach

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

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

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

  450. PubChem WTF #1

  451. Casual Saturdays: Shoulders of Giants

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

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

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

  455. Name That Graph

  456. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  460. What Good is a Scientific Blog?

  461. Casual Saturdays: Blind Trust

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

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

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

  465. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  467. Casual Saturdays: Balkanization

  468. Your Favorite Chemical Spreadsheet

  469. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  475. JavaScript for Cheminformatics - Using the Prototype Framework

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

  477. Encapsulated PostScript for Cheminformatics

  478. Casual Saturdays: There is No Shelf

  479. Grand Challenges in Cheminformatics

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

  481. Casual Saturdays: Mundaneum

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

  483. Validating CAS Numbers

  484. Vector Markup Language for Cheminformatics

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

  486. JavaScript for Cheminformatics

  487. Casual Saturdays: Kinetic Sculpture

  488. 3D Molecule Viewer on the iPhone

  489. Extending InChI Stereochemistry

  490. Scientific Commons: Cleaning Up Science's Basement

  491. Casual Saturdays: How Important is Science Education?

  492. Open Babel 2.2.0

  493. Building Chempedia: Learning About Contributors

  494. ChemWriter 1.3.1

  495. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  496. 3D Molecular Visualization on the Web: OpenAstexViewer

  497. Screencast: Drawing Structures Quickly With ChemWriter

  498. Better Structure Drawing With ChemWriter 1.3.0

  499. Casual Saturdays: A Thousand Years of Darkness

  500. Extreme Data Visualization

  501. Chemistry, The Web, and Netflix

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

  503. Casual Saturdays: Google AppEngine

  504. The Other Vector Graphics Markup Language

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

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

  507. A Simple and Portable Ruby Interface to InChI

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

  509. Small Molecule 3D Coordinates From PubChem

  510. Building Chempedia: Social Networking Applied to Chemistry

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

  512. Building Chempedia - Resizable Structures With ChemWriter

  513. Casual Saturdays: Thinking Inside the Box

  514. Building Chempedia: The Human Element

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

  516. Building Chempedia - Start Simple, Then Iterate

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

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

  519. 1908 and All That: The Long Tail and Chemistry

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

  521. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  522. Just a Flesh Wound

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

  524. Solve Web Application Scaling Problems With Signed Applets

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

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

  527. Building a Technology Company the Old-Fashioned Way

  528. Is reCAPTCHA Trying to Tell Me Something?

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

  530. Yet Another Free Chemistry Database: Pherobase

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

  532. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  534. Casual Saturdays: Periodicity is Just a Theory

  535. ACS Loses $27 Million Case Against Leadscope

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

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

  538. Open Access: Think Globally, Act Locally

  539. NIH Hears Publisher Feedback on Open Access Mandate

  540. Cheminformatics Puzzler #1

  541. Startup School 2008 at Stanford

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

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

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

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

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

  547. How Would Your Cheminformatics Tool Do This?

  548. Casual Saturdays: APOD

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

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

  551. Swing Sightings: SciFinder Web Version

  552. Casual Saturdays: Steampunk

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

  554. Testing Automatic Chemical Structure Recognition with OSRA

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

  556. How Would Your Cheminformatics Tool Do This?

  557. Raiding Chemistry's Data Tombs

  558. Casual Saturdays: Nano

  559. Hacking JSpecView - Enhancing the User Interface

  560. Molecule of the Day: Carminic Acid

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

  562. Filthy Rich Clients

  563. Hacking JSpecView - Creating an HTML Test Harness

  564. Casual Saturdays: Pareidolia

  565. How Would Your Cheminformatics Tool Do This?

  566. Swing Sightings: LigandScout

  567. Hacking JSpecView - Getting Organized with Ant

  568. An Introduction to JSpecView

  569. The New Scientific Publishers

  570. Casual Saturdays: Verge

  571. How Would Your Cheminformatics Tool Do This?

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

  573. Swing Sightings: Chenomx NMR Suite

  574. Science Blogging Anthology Now in Print

  575. ChemWriter Now Available for Download

  576. Casual Saturdays: Nanosolar

  577. My Favorite Eclipse Shortcut - Quick Fix

  578. How Would Your Cheminformatics Tool Do This?

  579. Subscribe to Depth-First by Email

  580. The Fundamental Cheminformatics Toolset

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

  582. A New Beginning or More of the Same?

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

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

  585. How Would Your Cheminformatics Tool Do This?

  586. Casual Saturdays: Entrepreneurship

  587. Security and the Online Chemical Catalog

  588. Simple 3D Conformer Generation with Smi23D

  589. How Would Your Cheminformatics Tool Do This?

  590. Run Babel Anywhere Java Runs with JBabel

  591. Casual Saturdays: Daybreak

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

  593. How Would Your Cheminformatics Tool Do This?

  594. Signal to Noise and the Chemistry Blog

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

  596. Casual Saturdays: Perspective

  597. How Would Your Cheminformatics Tool Do This?

  598. How Would Your Cheminformatics Tool Do This?

  599. SMILES and Aromaticity: Broken?

  600. ChemWriter, Chemical Structures, and the Web

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

  602. Casual Saturdays: Hackintosh

  603. How Would Your Cheminformatics Tool Do This?

  604. Simple Installation of Rubidium

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

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

  607. Casual Saturdays: Cynical Dreamer

  608. Why Web Development is Hard

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

  610. Making the Case: OpenSMILES

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

  612. Parsing SD Files with Ruby and Rubidium

  613. Casual Saturdays: How Television Works

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

  615. How Would Your Cheminformatics Tool Do This?

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

  617. Cheminformatics for Ruby - Getting Started with Rubidium

  618. How Would Your Cheminformatics Tool Do This?

  619. Casual Saturdays: Wikipedia in 2001

  620. Eolas and jActivating - Working Around a Workaround

  621. How Would Your Cheminformatics Tool Do This?

  622. JInChI - Run InChI Anywhere Java Runs

  623. How Would Your Cheminformatics Tool Do This?

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

  625. Casual Saturdays: The Four Elements

  626. Building Rubidium - Creating a RubyForge Project Space

  627. Casual Saturdays: Vishnu

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

  629. How Would Your Cheminformatics Tool Do This?

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

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

  632. Casual Saturdays: Argument Clinic

  633. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  634. How Would Your Cheminformatics Tool Do This?

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

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

  637. JRuby for Cheminformatics - Parsing SMILES Simply

  638. Five Reasons to Start Using JRuby Now

  639. Casual Saturdays: Truthiness

  640. What Makes Wikipedia Tick?

  641. Ruby CDK for Newbies

  642. Designing the Obvious: Permalinks and Paradigms

  643. Can Your Cheminformatics Tool Do This?

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

  645. Casual Saturdays: Wwwwwipeout

  646. Designing the Obvious

  647. InChI for Newbies

  648. PubChem for Newbies

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

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

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

  652. Taming the Wild Things

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

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

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

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

  657. Casual Saturdays: On Conformity

  658. Name That Graph

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

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

  661. OwnTerms: Legal Templates for the Rest of Us

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

  663. Casual Saturdays: Pretty Cool, Huh?

  664. Science Meets YouTube: Embedded JoVE Videos

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

  666. Name That Graph Revealed - Oligarchy 2.0

  667. Modern Approaches to Data Visualization

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

  669. Fighting Comment Spam on the Cheap with CAPTCHA

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

  671. Name That Graph

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

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

  674. ScienceHack: YouTube Meets Chemistry

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

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

  677. Five Ways to Use PubChem Right Now

  678. Googling for Molecules with InChIMatic and Firefly

  679. Java Interface to PubChem's Power User Gateway

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

  681. James Gosling Unplugged

  682. Ten Things That Surprised Me About Blogging

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

  684. Name That Graph

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

  686. The Best 55 Online Periodic Tables

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

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

  689. Conversations with James

  690. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  697. Waldorf Salad

  698. Yet Another Free Chemistry Database: Heterocycles Web Edition

  699. PubChem is a Platform

  700. Manage Your Bibliography with Firefox and Zotero

  701. Starting, Quitting, and Finishing

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

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

  704. Hacking CiteULike - Metascripting with Ruby and Session

  705. Open Notebook Science Using InChIMatic

  706. Everything is Miscellaneous

  707. We Don't Need No Stinkin' Copyright

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

  709. Buggotea: The Problem with Abundance

  710. Can Your Cheminformatics Tool Do This?

  711. Hacking PubChem - Learning to Speak PUG

  712. Hacking PubChem - Power User Gateway

  713. Open Access in Organic Chemistry

  714. RESTful Cheminformatics

  715. Just Say 'No' to Pentavalent Carbon

  716. Flex, Rich Internet Applications, and Cheminformatics

  717. Name That Graph

  718. Simple CAS Number Lookup with PubChem

  719. My InChI Runneth Over

  720. Interactive Ruby Open Babel

  721. Scientific Publication and the Seven Deadly Sins

  722. Hashing InChIs

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

  724. Update: InChI Canonicalization Algorithm

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

  726. Golden Rules for Open Source

  727. Strings and Things

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

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

  730. Self-Referential

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

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

  733. Roll Your Own Chemical Database With Free Components

  734. Structure Diagram Generation

  735. Painless Installation of Ruby Open Babel

  736. Can Your Cheminformatics Tool Do This?

  737. Creating Canonical SMILES with Ruby Open Babel

  738. The Aesthetics of Chemical Structure Diagrams

  739. Rethinking the Command Line for Chemistry

  740. Source Code, Science, and Advertising

  741. Why I Still Don't Use Connotea

  742. SciLink: Science Meets Facebook

  743. Customize InChI Output with Rino

  744. Software, Science, and Startups

  745. Do You Use the Command Line?

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

  747. From IUPAC Name to Molecular Formula with Ruby CDK

  748. Web 2.0 and Chemistry

  749. Yet Another Free Chemistry Database: FooDB

  750. Why the Web Isn't Ready for Chemistry

  751. Bountiful Quantities of Useless Features

  752. Bryan Vickery on What's Broken in Cheminformatics

  753. Googling for Molecules: New and Improved InChIMatic

  754. InChI Spam

  755. Making the Case - Flux-2

  756. The Power of Simple

  757. Octet Fundamentals - Immutable Molecules

  758. Google for Molecules with InChIMatic

  759. Twist and Shout

  760. Woz on Design and Constraints

  761. What's Broken in Cheminformatics?

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

  763. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  769. Thirty-Two Free Chemistry Databases

  770. Making the Case: Topological Maximum Cross Correlation

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

  772. Making the Case: Personal Chemistry Client

  773. Collective Intelligence and the Dumbness of Crowds

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

  775. The Scientific Debate: Digg Meets Science?

  776. ChemRefer: Free Direct Access to the Primary Literature

  777. FlexMol and Axial Chirality: N-Arylacrylanilides

  778. Decoding InChIs: An Introduction to Ninja

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

  780. The Axial Chirality Problem

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

  782. Copyright 2.0 and Open Science

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

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

  785. Dispelling Open Source Confusion: An Introduction to Licenses

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

  787. The (Chemical Information) World is Flat

  788. Scaffolding

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

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

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

  792. Anatomy of a Cheminformatics Web Application: InChIMatic

  793. Making the Case: Similarity by Compression

  794. The Problem with Ferrocene

  795. Hacking Molbank: Creating a Graphical Table of Contents

  796. BioRails

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

  798. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  799. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  801. We Have Met the Enemy and He Is Us

  802. The Open Access Ecosystem

  803. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  804. Scripting Molecular Fingerprints with Ruby CDK

  805. Build a Rails Cheminformatics Application in Thirty Minutes

  806. Unchaining Chemistry from the Desktop

  807. Visualizing Cheminformatics Algorithms

  808. Electric Cars and Open Access

  809. Diversity-Oriented Chemical Informatics

  810. Eleven Free Cheminformatics Scripting Environments

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

  812. Name That Graph

  813. Look Ma, No Applets!

  814. Debabelization

  815. Twelve Free Chemistry Databases

  816. Stone Soup

  817. From SMILES to InChI with OBRuby

  818. Stone Knives and Bear Skins

  819. OBRuby: A Ruby Interface to Open Babel

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

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

  822. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  825. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  829. Compiling C to Java Bytecode

  830. Decoding IUPAC Names With OPSIN

  831. Making the Case

  832. Running Ruby Java Bridge on Windows

  833. Software That Just Works

  834. Hacking PubChem: Direct Access with FTP

  835. Hacking PubChem: Free Speech or Free Beer?

  836. Looking at InChIs

  837. CDK, the Ruby Way: RCDK-0.2.0

  838. Hacking PubChem: Entrez Programming Utilities

  839. Mashups for Fun and Profit

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

  841. Hacking PubChem: Query by SMILES

  842. Point and Shoot Chemical Informatics Software

  843. Decoding InChIs with Rino

  844. Toward an Open, Worldwide Chemical Information Network

  845. Taking a SWIG of InChI

  846. CDK, the Ruby Way

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

  848. Visualizing IUPAC Names with ChemNomParse

  849. Chemical Nomenclature Translation

  850. Generating and Serving 2-D Molecular SVGs

  851. Chemical Reviews on Wikipedia

  852. Rendering Molecules with SVG on the Web

  853. The Automatic Encoding of Chemical Structures

  854. Hacking NMRShiftDB

  855. Peculiarities of Chemical Information

  856. Humanizing Line Notations

  857. Hacking PubChem with Ruby

  858. Drawing 2-D Structures with Structure-CDK

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

  860. Scripting Java Libraries with Ruby Java Bridge

  861. Computational Perception and Recognition of Digitized Molecular Structures

  862. Scripting CDK with JRuby

  863. Readily Available, Without Infringements or Restrictions

  864. Scripting Octet with JRuby

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

  866. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  868. History of Abstracting at Chemical Abstracts Service

  869. 107 Years of Line-Formula Notations (1861-1968)

  870. Ruby and InChI: The Rino Library

  871. Reading Behavior of Chemists

  872. ChemRuby First Look

  873. Changes

  874. InChI Canonicalization Algorithm