1. Using the Typestate Pattern with Rust Traits

  2. Conjugated Cycle Selection

  3. Exhaustive Cycle Enumeration in Rust

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

  5. Rethinking Tautomer Representation

  6. Naive Balsa Canonicalization

  7. Balsa Reference Implementation

  8. Direct Molecular Translation

  9. Reading CTfiles with CTcore

  10. CTfile Character Encoding

  11. Dealing with Delocalization

  12. Beyond Stereochemical Templates

  13. Toward a Standard InChI Formal Grammar

  14. Element-to-Atom Mapping in InChI

  15. Trey: A Toolkit for V3000 Molfiles and RGfiles

  16. Introducing Balsa

  17. 18 SMILES Problems as Seen through Twitter Polls

  18. ProtoSMILES

  19. A Dedicated Library for Reading and Writing V3000 CTfiles

  20. TUCAN Canonicalization Revisited

  21. TUCAN Canonicalization

  22. Molecular Identification with TUCAN

  23. An Introduction to DataWarrior

  24. Python Extensions in Pure Rust with Rust-CPython

  25. Big Reaction Data

  26. V3000 Molfile Enhanced Stereochemistry Representation

  27. Graphs from Scratch in Python

  28. Penny Codes

  29. Stereochemistry and the V2000 Molfile Format

  30. A Beginner's Guide to Parsing in Rust

  31. MDL Valence-Mageddon

  32. Ten Reasons to Adopt the V3000 Molfile Format

  33. Typed JavaScript

  34. Types without TypeScript

  35. Molecular Graph Canonicalization

  36. Beyond SMILES

  37. A Rust PostgreSQL Extension for CAS Numbers

  38. Postgres Extensions in Rust

  39. The RDKit/Postgres Ordered Substructure Search Problem

  40. Running the RDKit Postgres Cartridge with Docker

  41. The Trouble with Hückel

  42. Writing Aromatic SMILES

  43. Delocalization-Induced Molecular Equality

  44. Molecular Assembly Index

  45. Standard InChI

  46. Of Zero-Order Bonds and Bonding Systems

  47. InChI Syntax

  48. An Introduction to the ChemDraw CDXML Format

  49. Running InChI Anywhere with WebAssembly

  50. Parsing InChI: It's Complicated

  51. Purr: A SMILES Toolkit for Rust

  52. Fast Hydrogen Counting in SMILES

  53. Benchmarking Iteration from a Rust Trait

  54. Matched Molecular Pairs

  55. SMILES Formal Grammar Revisited

  56. Abstract Syntax Trees for SMILES

  57. A Workbench for Machine Learning in Chemistry

  58. SMILES Reading Performance: RDKit vs ChemCore

  59. Start Seeing Valence and Core Electrons

  60. Running a SMILES Validation Benchmark

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

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

  63. Getting Started with DeepChem

  64. Saying No to Browser UI Frameworks

  65. A Smallest Set of Smallest Rings

  66. SMILES Validation in the Browser

  67. Getting Started with RDKit and Jupyter

  68. Python Extensions in Pure Rust with PyO3

  69. Wrapping Rust Types as Python Classes

  70. A Guide to Molecular Standardization

  71. Reading Large SDfiles in Rust

  72. The SDfile Format

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

  74. Compiling Rust to WebAssembly: A Simple Example

  75. Returning Rust Iterators

  76. OxMol: Rust/Python Bindings for ChemCore

  77. Hydrogen Suppression in SMILES

  78. ChemCore: A Cheminformatics Toolkit for Rust

  79. Let's Build a SMILES Parser in Rust

  80. Hydrogen Suppression in Cheminformatics

  81. Cheminformatics in Rust: Implementing a Minimal Molecule API

  82. Stereochemistry and Atom Parity in SMILES

  83. Multi-Atom Bonding in Cheminformatics

  84. SMILES Formal Grammar

  85. Hydrogen Suppression in Molfiles

  86. A Minimal Molecule API

  87. COVID MoonShot

  88. Azithromycin and COVID-19

  89. Formal Charge and Bond Order are Side Effects

  90. A Brief Introduction to Graph Convolutional Networks

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

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

  93. Graphs in Rust: Introducing Gamma

  94. A Comprehensive Treatment of Aromaticity in the SMILES Language

  95. Graphs in Rust: An Introduction to Petgraph

  96. Rust Ownership by Example

  97. Rust for Cheminformatics

  98. First Steps in WebAssembly: Hello World

  99. A Minimal Graph API

  100. Virtual Hydrogens

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

  102. Security Theater and the Blockchain Project

  103. Compiling InChI to WebAssembly Part 1: Hello InChI

  104. JavaScript for Cheminformatics, Part 2

  105. The SMILES Substructure Search Fallacy

  106. The Maximum Matching Problem

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

  108. Class-Free Object-Oriented Programming

  109. The Language of Organic Chemistry

  110. Distributed Chemistry

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

  112. The NextMove Patent Reaction Dataset

  113. Scanner-Driven Parser Development

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

  115. Computing Extended Connectivity Fingerprints

  116. The Horrifying Future of Scientific Communication

  117. Planes, Trains, and Organic Syntheses

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

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

  120. A Second Failed Test of ACS Articles on Request

  121. Chemical Structure Copy and Paste Problems

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

  123. Solving Organic Chemistry's Oldest Problem

  124. Evernote as an Electronic Lab Notebook (ELN)

  125. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  128. Copyright for Chemists

  129. Anonymous Science and the Survival of BlogSyn

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

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

  132. Reshoring Pharma Jobs

  133. Ambassador for Chemistry?

  134. How to Get a Job Like Mine

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

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

  137. Two Windows are Better Than One

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

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

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

  141. Why Organic Chemistry is Like Facebook

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

  143. Why ACS Must Come Clean on Journal Publication Costs

  144. Education of a Scientist

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

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

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

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

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

  150. Understanding the PyMOL User Interface

  151. Install PyMOL on Mac OS X Snow Leopard

  152. Install PyMOL on Windows

  153. Install PyMOL on Ubuntu Linux

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

  155. An Introduction to Foldit

  156. Easily Install PyMOL on Mac OSX

  157. How to Validate CAS Registry Numbers in JavaScript

  158. Display Inline SVG Using the <img> Tag

  159. Similarity-Potency Trees

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

  161. Shoreline: A Google Closure Project Template

  162. Sixty-Four Free Chemistry Databases

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

  164. Learn WebGL by Building a 3D Molecule Viewer

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

  166. Changes

  167. Web Software for Drug Discovery

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

  169. Standardization in Lab Automation: The SiLA Consortium

  170. Really Drug-Like Molecules

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

  172. Jmol Without Applets Using Websockets

  173. PicoSpin and the Incredible Shrinking Lab

  174. WebGL and What It Means for Chemistry

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

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

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

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

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

  180. Name That Graph

  181. Just Add Points?

  182. The Mysterious Google Chrome SVG Bug Revisited

  183. 200 Countries and 200 Years in 4 Minutes

  184. The Mysterious Google Chrome SVG Bug

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

  186. Atom Labels Now Available in ChemWriter 2

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

  188. Inkspot Science - Pipeline Pilot for the Cloud?

  189. Google Closure - Building Complex Applications with JavaScript

  190. Building ChemWriter 2 - Pivotal Tracker for Project Management

  191. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  192. Jeux Sans Frontieres

  193. ChemWriter 2 Preview

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

  195. The ACS Versus Leadscope Case

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

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

  198. Predicting Synthetic Accessibility

  199. Name That Graph

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

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

  202. The FDA Unique Ingredient Identifier (UNII)

  203. A Lightweight and Portable Java Interface to InChI

  204. Freeform Natural Laws from Experimental Data

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

  206. Poster at the CDD Community Meeting

  207. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  209. Software Downsizing

  210. Node.js

  211. A Brief Introduction to Lawson Numbers

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

  213. Reading and Translating ChemDraw CDX Files with OpenBabel

  214. A Brief Introduction to the ChemDraw CDX File Format

  215. Scrum in Under Ten Minutes

  216. The Graph Traversal Programming Pattern

  217. Goodbye Paper, Hello Mendeley

  218. NoSQL is Web Scale [NSFW]

  219. Google Does a Spinning Molecule Thingie

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

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

  222. Visual Representation of Query Structures

  223. Whyday and Putting Away Your Best Practices

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

  225. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  227. Building ChemWriter 2 - JavaScript All the Way Down

  228. Mirroring PubChem the Easy Way with PubChem Fu

  229. Rational, Self-Maximizing Actors

  230. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  234. Latest CTFile Formats Specification Available Now from Symyx

  235. 1981 Time Capsule: The Future of Newspaper Publication

  236. The Avalanche of Low-Quality Research?

  237. What About Chempedia?

  238. HTML 5, Mobile Devices, and Chemistry

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

  240. Chemical Inventory Systems: Cheminformatics' Problem Child?

  241. Gigabytes of Chemical Information - Now Free for Download

  242. Chemistry Has a Long Tail - Deal With It

  243. How To Kill the DOI System

  244. Two Chemistry Apps for Mobile Devices

  245. Cheminformatics in JavaScript: JChemHub

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

  247. Awesome People: Andrew Warner

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

  249. Wise People

  250. Practical Chemistry on the Web

  251. The Scientist's Dilemma

  252. Wiley DOI Fail

  253. Wanted: A Few Good Chemists

  254. InChI 1.03 Prerelease

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

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

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

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

  259. Chempedia at the Spring ACS

  260. Jeux Sans Frontieres

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

  262. Smaller, Cheaper, More Powerful

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

  264. Why is Chempedia Lab Failing?

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

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

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

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

  269. Quote of the Week: Print References

  270. Everything Old is New Again: WLN in PubChem

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

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

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

  274. PubCouch: Create Your Own Custom PubChem Subset

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

  276. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  277. PubCouch: A CouchDB Interface to PubChem

  278. The Future of PyMOL

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

  280. StructureDB - A Profiling Session

  281. Talking About Chempedia and the Future of Scientific Communication

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

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

  284. Pinpoint Performance Problems with Google Speed Tracer

  285. JavaScript Survival: Screw.Unit

  286. Casting a Wide Net in Cheminformatics

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

  288. Chempedia Data Downloads: Free as in Free

  289. A Clean, Well-Lit Place for Spectra

  290. Warren DeLano

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

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

  293. Chempedia Launch Day Wrapup

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

  295. Building Chempedia: Heroku, DNS, and Propagation

  296. Welcome to Chempedia!

  297. Avogadro 1.0

  298. Tech Fridays: The Web That Wasn't

  299. Chempedia: A Social Medium for Chemical Information

  300. Building Chempedia - Heroku Deployment First Impressions

  301. Tech Fridays: Galaxy Zoo

  302. The SMILES Antipattern

  303. The Future of Scientific Publication - Role Reversal Ahead

  304. Tech Fridays: Google Web Toolkit

  305. Building Chempedia: Deployment with Heroku and EC2

  306. Drug Discovery on the Web

  307. Last Chance to Win a ChemWriter Domain License

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

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

  310. Is the Electronic Laboratory Notebook Doomed?

  311. A RESTful Interface for Toxicity Prediction

  312. Tech Fridays: Google Chrome Frame

  313. Win a Free ChemWriter License for Your Site

  314. Reverse Auction for Specialty Chemicals

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

  316. Casual Saturdays: Optimistic Design

  317. Tech Fridays: PubSubHubbub

  318. Stereochemistry Puzzler: Answers

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

  320. Stereoisomer Generation

  321. Casual Saturdays: Extreme Testing

  322. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  328. Human Computing

  329. The RESTful Chemical Tracking System Part 2 - Resources

  330. The RESTful Chemical Tracking System Part 1 - Introduction

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

  332. Chemical Information and Marketing

  333. Molecular Modeling for Average Joes

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

  335. Casual Saturdays: Never Assume

  336. Linked Chemical Data @ Google TechTalks

  337. Graph Databases and Cheminformatics - Neo4j

  338. Chemcaster - The REST Web API for Cheminformatics

  339. Seventeen GitHub Accounts to Watch in Cheminformatics

  340. MX-1.0 Beta 2

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

  342. Hashing and the Universal Molecular Identifier

  343. Always Be Testing: Using Mockito in MX

  344. Casual Saturdays: Bird's Eye

  345. Porting MX - CDK-Compatible VF Implementation

  346. Innovation: What Thinking Outside the Box Actually Means

  347. 3D Molecular Visualization with Avogadro

  348. Casual Saturdays - Turtles All The Way Down

  349. Open Source Cheminformatics Tools and Data

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

  351. Beginning of the End for ACS Journal Print Editions

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

  353. Nifty GitHub Features: Integrated Issue Tracking

  354. Casual Saturdays: Linked Data

  355. MX-1.0 Beta 1

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

  357. Small Libraries and GitHub: Applet-Fu

  358. On This Day In Organic Chemistry, 1874

  359. RESTful Substructure Search

  360. Painless Source Code Highlighting with Prettify

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

  362. Name That Graph

  363. Still More Free Chemistry Databases and Web Services

  364. Forking ONS Challenge Solubility Code on GitHub

  365. Downloadable eMolecules Datasets

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

  367. Casual Saturdays: Repurpose

  368. Updating Ruby CDK

  369. Science Doesn't Need Journals

  370. Building Chemistry Communities

  371. Learning from StackOverflow: Building Chemistry Communities

  372. Scientific Blogging - Ignore It and Be Ignored?

  373. Casual Saturdays: Correlation

  374. The First InChIKey Collision

  375. CouchDB for Chemistry

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

  377. Antisocial Journals

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

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

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

  381. Getting Real With Electronic Laboratory Notebooks -

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

  383. ACS To Suspend Print Publication of All Journals

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

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

  386. Casual Saturdays: Building Blocks

  387. Cheminformatics, Crowds, and Cha-Ching

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

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

  390. Casual Saturdays: Twittervision

  391. What's Up With Chempedia?

  392. Sixty-Four Free Chemistry Databases

  393. Casual Saturdays: What's Phase 2?

  394. Interconvert Database Formats in Rails with YamlDB

  395. Substructure Search Idoms: Hydrogen Means Block Substitution

  396. The Bikeshed Effect

  397. $299 ChemWriter Domain Licenses During March

  398. Broken Business Models and Bailouts

  399. Cheminformatics and Micropublication in Chemistry

  400. What the Heck is RDF?

  401. What the Heck is the Semantic Web?

  402. Zusammen: The Other Half of the Story

  403. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  406. Casual Saturdays: Popular Belief

  407. Chemical Substructure Search in SQL

  408. Chemical Informatics Guys Don't Get It

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

  410. Web-Centric Science

  411. Scaling Up Scientific Conversation

  412. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  416. Casual Saturdays: Bobby Tables

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

  418. Open Benchmarks for Cheminformatics: Working with Japex

  419. Merb on JRuby

  420. Exhaustive Ring Perception With MX

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

  422. The Electronic Laboratory Notebook Trap

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

  424. Exhaustive Ring Perception

  425. Reading and Writing SD Files With MX

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

  427. Mr. InChI - Tear Down This Wall

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

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

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

  431. Open Benchmarks for Cheminformatics

  432. Choose Java for Speed

  433. Reading SMILES with MX

  434. Five Questions About the InChI Resolver

  435. Open Source Cheminformatics in Python with MX

  436. Flexible Depth-First Search With MX

  437. Goodbye Subversion, Hello Git and GitHub

  438. Getting Started with MX

  439. Casual Saturdays: Complexity

  440. ChemPhoto Beta-2

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

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

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

  444. One of These Things is Not Like The Others

  445. Casual Saturdays: Business Plan

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

  447. Billions and Billions

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

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

  450. ChemPhoto Beta-1 Now Available

  451. Flying Coach

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

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

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

  455. PubChem WTF #1

  456. Casual Saturdays: Shoulders of Giants

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

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

  459. Name That Graph

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

  461. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  465. What Good is a Scientific Blog?

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

  467. Casual Saturdays: Blind Trust

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

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

  470. Stack Overflow - Technical Discussion Forums and Modern Chemistry

  471. Book Review - Practical Prototype and

  472. Casual Saturdays: Balkanization

  473. Your Favorite Chemical Spreadsheet

  474. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  480. JavaScript for Cheminformatics - Using the Prototype Framework

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

  482. Encapsulated PostScript for Cheminformatics

  483. Casual Saturdays: There is No Shelf

  484. Grand Challenges in Cheminformatics

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

  486. Casual Saturdays: Mundaneum

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

  488. Validating CAS Numbers

  489. Vector Markup Language for Cheminformatics

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

  491. JavaScript for Cheminformatics

  492. Casual Saturdays: Kinetic Sculpture

  493. 3D Molecule Viewer on the iPhone

  494. Extending InChI Stereochemistry

  495. Scientific Commons: Cleaning Up Science's Basement

  496. Casual Saturdays: How Important is Science Education?

  497. Open Babel 2.2.0

  498. Building Chempedia: Learning About Contributors

  499. ChemWriter 1.3.1

  500. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  501. 3D Molecular Visualization on the Web: OpenAstexViewer

  502. Screencast: Drawing Structures Quickly With ChemWriter

  503. Better Structure Drawing With ChemWriter 1.3.0

  504. Casual Saturdays: A Thousand Years of Darkness

  505. Extreme Data Visualization

  506. Chemistry, The Web, and Netflix

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

  508. Casual Saturdays: Google AppEngine

  509. The Other Vector Graphics Markup Language

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

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

  512. A Simple and Portable Ruby Interface to InChI

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

  514. Small Molecule 3D Coordinates From PubChem

  515. Building Chempedia: Social Networking Applied to Chemistry

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

  517. Building Chempedia - Resizable Structures With ChemWriter

  518. Casual Saturdays: Thinking Inside the Box

  519. Building Chempedia: The Human Element

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

  521. Building Chempedia - Start Simple, Then Iterate

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

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

  524. 1908 and All That: The Long Tail and Chemistry

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

  526. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  527. Just a Flesh Wound

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

  529. Solve Web Application Scaling Problems With Signed Applets

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

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

  532. Building a Technology Company the Old-Fashioned Way

  533. Is reCAPTCHA Trying to Tell Me Something?

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

  535. Yet Another Free Chemistry Database: Pherobase

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

  537. - Mashing Up PubChem and Wikipedia

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

  539. Casual Saturdays: Periodicity is Just a Theory

  540. ACS Loses $27 Million Case Against Leadscope

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

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

  543. Open Access: Think Globally, Act Locally

  544. NIH Hears Publisher Feedback on Open Access Mandate

  545. Cheminformatics Puzzler #1

  546. Startup School 2008 at Stanford

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

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

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

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

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

  552. How Would Your Cheminformatics Tool Do This?

  553. Casual Saturdays: APOD

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

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

  556. Swing Sightings: SciFinder Web Version

  557. Casual Saturdays: Steampunk

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

  559. Testing Automatic Chemical Structure Recognition with OSRA

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

  561. How Would Your Cheminformatics Tool Do This?

  562. Raiding Chemistry's Data Tombs

  563. Casual Saturdays: Nano

  564. Hacking JSpecView - Enhancing the User Interface

  565. Molecule of the Day: Carminic Acid

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

  567. Filthy Rich Clients

  568. Hacking JSpecView - Creating an HTML Test Harness

  569. Casual Saturdays: Pareidolia

  570. How Would Your Cheminformatics Tool Do This?

  571. Swing Sightings: LigandScout

  572. Hacking JSpecView - Getting Organized with Ant

  573. An Introduction to JSpecView

  574. The New Scientific Publishers

  575. Casual Saturdays: Verge

  576. How Would Your Cheminformatics Tool Do This?

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

  578. Swing Sightings: Chenomx NMR Suite

  579. Science Blogging Anthology Now in Print

  580. ChemWriter Now Available for Download

  581. Casual Saturdays: Nanosolar

  582. My Favorite Eclipse Shortcut - Quick Fix

  583. How Would Your Cheminformatics Tool Do This?

  584. Subscribe to Depth-First by Email

  585. The Fundamental Cheminformatics Toolset

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

  587. A New Beginning or More of the Same?

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

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

  590. How Would Your Cheminformatics Tool Do This?

  591. Casual Saturdays: Entrepreneurship

  592. Security and the Online Chemical Catalog

  593. Simple 3D Conformer Generation with Smi23D

  594. How Would Your Cheminformatics Tool Do This?

  595. Run Babel Anywhere Java Runs with JBabel

  596. Casual Saturdays: Daybreak

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

  598. How Would Your Cheminformatics Tool Do This?

  599. Signal to Noise and the Chemistry Blog

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

  601. Casual Saturdays: Perspective

  602. How Would Your Cheminformatics Tool Do This?

  603. How Would Your Cheminformatics Tool Do This?

  604. SMILES and Aromaticity: Broken?

  605. ChemWriter, Chemical Structures, and the Web

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

  607. Casual Saturdays: Hackintosh

  608. How Would Your Cheminformatics Tool Do This?

  609. Simple Installation of Rubidium

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

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

  612. Casual Saturdays: Cynical Dreamer

  613. Why Web Development is Hard

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

  615. Making the Case: OpenSMILES

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

  617. Parsing SD Files with Ruby and Rubidium

  618. Casual Saturdays: How Television Works

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

  620. How Would Your Cheminformatics Tool Do This?

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

  622. Cheminformatics for Ruby - Getting Started with Rubidium

  623. How Would Your Cheminformatics Tool Do This?

  624. Casual Saturdays: Wikipedia in 2001

  625. Eolas and jActivating - Working Around a Workaround

  626. How Would Your Cheminformatics Tool Do This?

  627. JInChI - Run InChI Anywhere Java Runs

  628. How Would Your Cheminformatics Tool Do This?

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

  630. Casual Saturdays: The Four Elements

  631. Building Rubidium - Creating a RubyForge Project Space

  632. Casual Saturdays: Vishnu

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

  634. How Would Your Cheminformatics Tool Do This?

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

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

  637. Casual Saturdays: Argument Clinic

  638. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

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

  640. How Would Your Cheminformatics Tool Do This?

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

  642. JRuby for Cheminformatics - Parsing SMILES Simply

  643. Five Reasons to Start Using JRuby Now

  644. Casual Saturdays: Truthiness

  645. What Makes Wikipedia Tick?

  646. Ruby CDK for Newbies

  647. Designing the Obvious: Permalinks and Paradigms

  648. Can Your Cheminformatics Tool Do This?

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

  650. Casual Saturdays: Wwwwwipeout

  651. Designing the Obvious

  652. InChI for Newbies

  653. PubChem for Newbies

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

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

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

  657. Taming the Wild Things

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

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

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

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

  662. Casual Saturdays: On Conformity

  663. Name That Graph

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

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

  666. OwnTerms: Legal Templates for the Rest of Us

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

  668. Casual Saturdays: Pretty Cool, Huh?

  669. Science Meets YouTube: Embedded JoVE Videos

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

  671. Name That Graph Revealed - Oligarchy 2.0

  672. Modern Approaches to Data Visualization

  673. Fighting Spam on the Cheap with CAPTCHA - A Simple Ruby Library for

  674. Fighting Comment Spam on the Cheap with CAPTCHA

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

  676. Name That Graph

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

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

  679. ScienceHack: YouTube Meets Chemistry

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

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

  682. Five Ways to Use PubChem Right Now

  683. Googling for Molecules with InChIMatic and Firefly

  684. Java Interface to PubChem's Power User Gateway

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

  686. James Gosling Unplugged

  687. Ten Things That Surprised Me About Blogging

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

  689. Name That Graph

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

  691. The Best 55 Online Periodic Tables

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

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

  694. Conversations with James

  695. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  702. Waldorf Salad

  703. Yet Another Free Chemistry Database: Heterocycles Web Edition

  704. PubChem is a Platform

  705. Manage Your Bibliography with Firefox and Zotero

  706. Starting, Quitting, and Finishing

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

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

  709. Hacking CiteULike - Metascripting with Ruby and Session

  710. Open Notebook Science Using InChIMatic

  711. Everything is Miscellaneous

  712. We Don't Need No Stinkin' Copyright

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

  714. Buggotea: The Problem with Abundance

  715. Can Your Cheminformatics Tool Do This?

  716. Hacking PubChem - Learning to Speak PUG

  717. Hacking PubChem - Power User Gateway

  718. Open Access in Organic Chemistry

  719. RESTful Cheminformatics

  720. Just Say 'No' to Pentavalent Carbon

  721. Flex, Rich Internet Applications, and Cheminformatics

  722. Name That Graph

  723. Simple CAS Number Lookup with PubChem

  724. My InChI Runneth Over

  725. Interactive Ruby Open Babel

  726. Scientific Publication and the Seven Deadly Sins

  727. Hashing InChIs

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

  729. Update: InChI Canonicalization Algorithm

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

  731. Golden Rules for Open Source

  732. Strings and Things

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

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

  735. Self-Referential

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

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

  738. Roll Your Own Chemical Database With Free Components

  739. Structure Diagram Generation

  740. Painless Installation of Ruby Open Babel

  741. Can Your Cheminformatics Tool Do This?

  742. Creating Canonical SMILES with Ruby Open Babel

  743. The Aesthetics of Chemical Structure Diagrams

  744. Rethinking the Command Line for Chemistry

  745. Source Code, Science, and Advertising

  746. Why I Still Don't Use Connotea

  747. SciLink: Science Meets Facebook

  748. Customize InChI Output with Rino

  749. Software, Science, and Startups

  750. Do You Use the Command Line?

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

  752. From IUPAC Name to Molecular Formula with Ruby CDK

  753. Web 2.0 and Chemistry

  754. Yet Another Free Chemistry Database: FooDB

  755. Why the Web Isn't Ready for Chemistry

  756. Bountiful Quantities of Useless Features

  757. Bryan Vickery on What's Broken in Cheminformatics

  758. InChI Spam

  759. Googling for Molecules: New and Improved InChIMatic

  760. Making the Case - Flux-2

  761. The Power of Simple

  762. Octet Fundamentals - Immutable Molecules

  763. Google for Molecules with InChIMatic

  764. Twist and Shout

  765. Woz on Design and Constraints

  766. What's Broken in Cheminformatics?

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

  768. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  774. Thirty-Two Free Chemistry Databases

  775. Making the Case: Topological Maximum Cross Correlation

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

  777. Making the Case: Personal Chemistry Client

  778. Collective Intelligence and the Dumbness of Crowds

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

  780. The Scientific Debate: Digg Meets Science?

  781. ChemRefer: Free Direct Access to the Primary Literature

  782. Decoding InChIs: An Introduction to Ninja

  783. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  785. The Axial Chirality Problem

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

  787. Copyright 2.0 and Open Science

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

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

  790. Dispelling Open Source Confusion: An Introduction to Licenses

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

  792. The (Chemical Information) World is Flat

  793. Scaffolding

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

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

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

  797. Anatomy of a Cheminformatics Web Application: InChIMatic

  798. Making the Case: Similarity by Compression

  799. The Problem with Ferrocene

  800. Hacking Molbank: Creating a Graphical Table of Contents

  801. BioRails

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

  803. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  804. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  806. We Have Met the Enemy and He Is Us

  807. The Open Access Ecosystem

  808. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  809. Scripting Molecular Fingerprints with Ruby CDK

  810. Build a Rails Cheminformatics Application in Thirty Minutes

  811. Unchaining Chemistry from the Desktop

  812. Visualizing Cheminformatics Algorithms

  813. Electric Cars and Open Access

  814. Diversity-Oriented Chemical Informatics

  815. Eleven Free Cheminformatics Scripting Environments

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

  817. Name That Graph

  818. Look Ma, No Applets!

  819. Debabelization

  820. Twelve Free Chemistry Databases

  821. Stone Soup

  822. From SMILES to InChI with OBRuby

  823. Stone Knives and Bear Skins

  824. OBRuby: A Ruby Interface to Open Babel

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

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

  827. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  830. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  834. Compiling C to Java Bytecode

  835. Decoding IUPAC Names With OPSIN

  836. Making the Case

  837. Running Ruby Java Bridge on Windows

  838. Software That Just Works

  839. Hacking PubChem: Direct Access with FTP

  840. Hacking PubChem: Free Speech or Free Beer?

  841. Looking at InChIs

  842. CDK, the Ruby Way: RCDK-0.2.0

  843. Hacking PubChem: Entrez Programming Utilities

  844. Mashups for Fun and Profit

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

  846. Hacking PubChem: Query by SMILES

  847. Point and Shoot Chemical Informatics Software

  848. Decoding InChIs with Rino

  849. Toward an Open, Worldwide Chemical Information Network

  850. Taking a SWIG of InChI

  851. CDK, the Ruby Way

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

  853. Visualizing IUPAC Names with ChemNomParse

  854. Chemical Nomenclature Translation

  855. Generating and Serving 2-D Molecular SVGs

  856. Chemical Reviews on Wikipedia

  857. Rendering Molecules with SVG on the Web

  858. The Automatic Encoding of Chemical Structures

  859. Hacking NMRShiftDB

  860. Peculiarities of Chemical Information

  861. Humanizing Line Notations

  862. Hacking PubChem with Ruby

  863. Drawing 2-D Structures with Structure-CDK

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

  865. Scripting Java Libraries with Ruby Java Bridge

  866. Computational Perception and Recognition of Digitized Molecular Structures

  867. Scripting CDK with JRuby

  868. Scripting Octet with JRuby

  869. Readily Available, Without Infringements or Restrictions

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

  871. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  873. History of Abstracting at Chemical Abstracts Service

  874. 107 Years of Line-Formula Notations (1861-1968)

  875. Ruby and InChI: The Rino Library

  876. Reading Behavior of Chemists

  877. ChemRuby First Look

  878. Changes

  879. InChI Canonicalization Algorithm