Depth-First

Archive

  1. Bridge to Nowhere

  2. Clock Yourself

  3. Compassion & Choices

  4. Round Two

  5. Median

  6. My Struggle for a Good Death

  7. The Witness

  8. Opting out of Optune

  9. DCA and Me

  10. Crystal Gardens

  11. The Geiger Counter

  12. Living with Glioblastoma

  13. Beating Swords into Ploughshares

  14. Growing Pains

  15. Sowing Seeds on Rocky Soil

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

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

  18. Beware Oncologists Bearing Hope

  19. Dichloroacetate

  20. Progression

  21. The California End of Life Option Act

  22. Just Saying "No" to Adjuvant Temozolomide

  23. George

  24. Chemoradiotherapy

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

  26. Tumor Board

  27. The Ambiguously Alarming Brain MRI

  28. The Principle of Least Convenience

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

  30. Deconditioning, Rehabilitation, and Independence

  31. Fall Guy

  32. Buried Alive

  33. Dealing with Brain MRIs

  34. Physical and Cognitive Impairments

  35. The G-Word

  36. Reflections on My Brain Surgery

  37. Brain Surgery or Die in Three Months

  38. The Scary Stuff

  39. I Finally Get that Brain MRI

  40. ER

  41. Everyone Has a Plan

  42. Using the Typestate Pattern with Rust Traits

  43. Conjugated Cycle Selection

  44. Exhaustive Cycle Enumeration in Rust

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

  46. Rethinking Tautomer Representation

  47. Naive Balsa Canonicalization

  48. Balsa Reference Implementation

  49. Direct Molecular Translation

  50. Reading CTfiles with CTcore

  51. CTfile Character Encoding

  52. Dealing with Delocalization

  53. Beyond Stereochemical Templates

  54. Toward a Standard InChI Formal Grammar

  55. Element-to-Atom Mapping in InChI

  56. Trey: A Toolkit for V3000 Molfiles and RGfiles

  57. Introducing Balsa

  58. 18 SMILES Problems as Seen through Twitter Polls

  59. ProtoSMILES

  60. A Dedicated Library for Reading and Writing V3000 CTfiles

  61. TUCAN Canonicalization Revisited

  62. TUCAN Canonicalization

  63. Molecular Identification with TUCAN

  64. An Introduction to DataWarrior

  65. Python Extensions in Pure Rust with Rust-CPython

  66. Big Reaction Data

  67. V3000 Molfile Enhanced Stereochemistry Representation

  68. Graphs from Scratch in Python

  69. Penny Codes

  70. Stereochemistry and the V2000 Molfile Format

  71. A Beginner's Guide to Parsing in Rust

  72. MDL Valence-Mageddon

  73. Ten Reasons to Adopt the V3000 Molfile Format

  74. Typed JavaScript

  75. Types without TypeScript

  76. Molecular Graph Canonicalization

  77. Beyond SMILES

  78. A Rust PostgreSQL Extension for CAS Numbers

  79. Postgres Extensions in Rust

  80. The RDKit/Postgres Ordered Substructure Search Problem

  81. Running the RDKit Postgres Cartridge with Docker

  82. The Trouble with Hückel

  83. Writing Aromatic SMILES

  84. Delocalization-Induced Molecular Equality

  85. Molecular Assembly Index

  86. Standard InChI

  87. Of Zero-Order Bonds and Bonding Systems

  88. InChI Syntax

  89. An Introduction to the ChemDraw CDXML Format

  90. Running InChI Anywhere with WebAssembly

  91. Parsing InChI: It's Complicated

  92. Purr: A SMILES Toolkit for Rust

  93. Fast Hydrogen Counting in SMILES

  94. Benchmarking Iteration from a Rust Trait

  95. Matched Molecular Pairs

  96. SMILES Formal Grammar Revisited

  97. Abstract Syntax Trees for SMILES

  98. A Workbench for Machine Learning in Chemistry

  99. SMILES Reading Performance: RDKit vs ChemCore

  100. Start Seeing Valence and Core Electrons

  101. Running a SMILES Validation Benchmark

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

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

  104. Getting Started with DeepChem

  105. Saying No to Browser UI Frameworks

  106. A Smallest Set of Smallest Rings

  107. SMILES Validation in the Browser

  108. Getting Started with RDKit and Jupyter

  109. Python Extensions in Pure Rust with PyO3

  110. Wrapping Rust Types as Python Classes

  111. A Guide to Molecular Standardization

  112. Reading Large SDfiles in Rust

  113. The SDfile Format

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

  115. Compiling Rust to WebAssembly: A Simple Example

  116. Returning Rust Iterators

  117. OxMol: Rust/Python Bindings for ChemCore

  118. Hydrogen Suppression in SMILES

  119. ChemCore: A Cheminformatics Toolkit for Rust

  120. Let's Build a SMILES Parser in Rust

  121. Hydrogen Suppression in Cheminformatics

  122. Cheminformatics in Rust: Implementing a Minimal Molecule API

  123. Stereochemistry and Atom Parity in SMILES

  124. Multi-Atom Bonding in Cheminformatics

  125. SMILES Formal Grammar

  126. Hydrogen Suppression in Molfiles

  127. A Minimal Molecule API

  128. COVID MoonShot

  129. Azithromycin and COVID-19

  130. Formal Charge and Bond Order are Side Effects

  131. A Brief Introduction to Graph Convolutional Networks

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

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

  134. Graphs in Rust: Introducing Gamma

  135. A Comprehensive Treatment of Aromaticity in the SMILES Language

  136. Graphs in Rust: An Introduction to Petgraph

  137. Rust Ownership by Example

  138. Rust for Cheminformatics

  139. First Steps in WebAssembly: Hello World

  140. A Minimal Graph API

  141. Virtual Hydrogens

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

  143. Security Theater and the Blockchain Project

  144. Compiling InChI to WebAssembly Part 1: Hello InChI

  145. JavaScript for Cheminformatics, Part 2

  146. The SMILES Substructure Search Fallacy

  147. The Maximum Matching Problem

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

  149. Class-Free Object-Oriented Programming

  150. The Language of Organic Chemistry

  151. Distributed Chemistry

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

  153. The NextMove Patent Reaction Dataset

  154. Scanner-Driven Parser Development

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

  156. Computing Extended Connectivity Fingerprints

  157. The Horrifying Future of Scientific Communication

  158. Planes, Trains, and Organic Syntheses

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

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

  161. A Second Failed Test of ACS Articles on Request

  162. Chemical Structure Copy and Paste Problems

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

  164. Solving Organic Chemistry's Oldest Problem

  165. Evernote as an Electronic Lab Notebook (ELN)

  166. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  169. Copyright for Chemists

  170. Anonymous Science and the Survival of BlogSyn

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

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

  173. Reshoring Pharma Jobs

  174. Ambassador for Chemistry?

  175. How to Get a Job Like Mine

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

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

  178. Two Windows are Better Than One

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

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

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

  182. Why Organic Chemistry is Like Facebook

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

  184. Why ACS Must Come Clean on Journal Publication Costs

  185. Education of a Scientist

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

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

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

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

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

  191. Understanding the PyMOL User Interface

  192. Install PyMOL on Mac OS X Snow Leopard

  193. Install PyMOL on Windows

  194. Install PyMOL on Ubuntu Linux

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

  196. An Introduction to Foldit

  197. Easily Install PyMOL on Mac OSX

  198. How to Validate CAS Registry Numbers in JavaScript

  199. Display Inline SVG Using the <img> Tag

  200. Similarity-Potency Trees

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

  202. Shoreline: A Google Closure Project Template

  203. Sixty-Four Free Chemistry Databases

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

  205. Learn WebGL by Building a 3D Molecule Viewer

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

  207. Changes

  208. Drugable.com: Web Software for Drug Discovery

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

  210. Standardization in Lab Automation: The SiLA Consortium

  211. Really Drug-Like Molecules

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

  213. Jmol Without Applets Using Websockets

  214. PicoSpin and the Incredible Shrinking Lab

  215. WebGL and What It Means for Chemistry

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

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

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

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

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

  221. Name That Graph

  222. Just Add Points?

  223. The Mysterious Google Chrome SVG Bug Revisited

  224. 200 Countries and 200 Years in 4 Minutes

  225. The Mysterious Google Chrome SVG Bug

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

  227. Atom Labels Now Available in ChemWriter 2

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

  229. Inkspot Science - Pipeline Pilot for the Cloud?

  230. Google Closure - Building Complex Applications with JavaScript

  231. Building ChemWriter 2 - Pivotal Tracker for Project Management

  232. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  233. Jeux Sans Frontieres

  234. ChemWriter 2 Preview

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

  236. The ACS Versus Leadscope Case

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

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

  239. Predicting Synthetic Accessibility

  240. Name That Graph

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

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

  243. The FDA Unique Ingredient Identifier (UNII)

  244. A Lightweight and Portable Java Interface to InChI

  245. Freeform Natural Laws from Experimental Data

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

  247. Poster at the CDD Community Meeting

  248. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  250. Software Downsizing

  251. Node.js

  252. A Brief Introduction to Lawson Numbers

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

  254. Reading and Translating ChemDraw CDX Files with OpenBabel

  255. A Brief Introduction to the ChemDraw CDX File Format

  256. Scrum in Under Ten Minutes

  257. The Graph Traversal Programming Pattern

  258. Goodbye Paper, Hello Mendeley

  259. NoSQL is Web Scale [NSFW]

  260. Google Does a Spinning Molecule Thingie

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

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

  263. Visual Representation of Query Structures

  264. Whyday and Putting Away Your Best Practices

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

  266. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  268. Building ChemWriter 2 - JavaScript All the Way Down

  269. Mirroring PubChem the Easy Way with PubChem Fu

  270. Rational, Self-Maximizing Actors

  271. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  275. Latest CTFile Formats Specification Available Now from Symyx

  276. 1981 Time Capsule: The Future of Newspaper Publication

  277. The Avalanche of Low-Quality Research?

  278. What About Chempedia?

  279. HTML 5, Mobile Devices, and Chemistry

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

  281. Chemical Inventory Systems: Cheminformatics' Problem Child?

  282. Gigabytes of Chemical Information - Now Free for Download

  283. Chemistry Has a Long Tail - Deal With It

  284. How To Kill the DOI System

  285. Two Chemistry Apps for Mobile Devices

  286. Cheminformatics in JavaScript: JChemHub

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

  288. Awesome People: Andrew Warner

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

  290. Wise People

  291. Practical Chemistry on the Web

  292. The Scientist's Dilemma

  293. Wiley DOI Fail

  294. Wanted: A Few Good Chemists

  295. InChI 1.03 Prerelease

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

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

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

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

  300. Chempedia at the Spring ACS

  301. Jeux Sans Frontieres

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

  303. Smaller, Cheaper, More Powerful

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

  305. Why is Chempedia Lab Failing?

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

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

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

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

  310. Quote of the Week: Print References

  311. Everything Old is New Again: WLN in PubChem

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

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

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

  315. PubCouch: Create Your Own Custom PubChem Subset

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

  317. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  318. PubCouch: A CouchDB Interface to PubChem

  319. The Future of PyMOL

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

  321. StructureDB - A Profiling Session

  322. Talking About Chempedia and the Future of Scientific Communication

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

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

  325. Pinpoint Performance Problems with Google Speed Tracer

  326. JavaScript Survival: Screw.Unit

  327. Casting a Wide Net in Cheminformatics

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

  329. Chempedia Data Downloads: Free as in Free

  330. A Clean, Well-Lit Place for Spectra

  331. Warren DeLano

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

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

  334. Chempedia Launch Day Wrapup

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

  336. Building Chempedia: Heroku, DNS, and Propagation

  337. Welcome to Chempedia!

  338. Avogadro 1.0

  339. Tech Fridays: The Web That Wasn't

  340. Chempedia: A Social Medium for Chemical Information

  341. Building Chempedia - Heroku Deployment First Impressions

  342. Tech Fridays: Galaxy Zoo

  343. The SMILES Antipattern

  344. The Future of Scientific Publication - Role Reversal Ahead

  345. Tech Fridays: Google Web Toolkit

  346. Building Chempedia: Deployment with Heroku and EC2

  347. Drug Discovery on the Web

  348. Last Chance to Win a ChemWriter Domain License

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

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

  351. Is the Electronic Laboratory Notebook Doomed?

  352. A RESTful Interface for Toxicity Prediction

  353. Tech Fridays: Google Chrome Frame

  354. Win a Free ChemWriter License for Your Site

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

  356. Reverse Auction for Specialty Chemicals

  357. Casual Saturdays: Optimistic Design

  358. Tech Fridays: PubSubHubbub

  359. Stereochemistry Puzzler: Answers

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

  361. Stereoisomer Generation

  362. Casual Saturdays: Extreme Testing

  363. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  369. Human Computing

  370. The RESTful Chemical Tracking System Part 2 - Resources

  371. The RESTful Chemical Tracking System Part 1 - Introduction

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

  373. Chemical Information and Marketing

  374. Molecular Modeling for Average Joes

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

  376. Casual Saturdays: Never Assume

  377. Linked Chemical Data @ Google TechTalks

  378. Graph Databases and Cheminformatics - Neo4j

  379. Chemcaster - The REST Web API for Cheminformatics

  380. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  382. MX-1.0 Beta 2

  383. Hashing and the Universal Molecular Identifier

  384. Always Be Testing: Using Mockito in MX

  385. Casual Saturdays: Bird's Eye

  386. Porting MX - CDK-Compatible VF Implementation

  387. Innovation: What Thinking Outside the Box Actually Means

  388. 3D Molecular Visualization with Avogadro

  389. Casual Saturdays - Turtles All The Way Down

  390. Open Source Cheminformatics Tools and Data

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

  392. Beginning of the End for ACS Journal Print Editions

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

  394. Nifty GitHub Features: Integrated Issue Tracking

  395. Casual Saturdays: Linked Data

  396. MX-1.0 Beta 1

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

  398. Small Libraries and GitHub: Applet-Fu

  399. On This Day In Organic Chemistry, 1874

  400. RESTful Substructure Search

  401. Painless Source Code Highlighting with Prettify

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

  403. Name That Graph

  404. Still More Free Chemistry Databases and Web Services

  405. Forking ONS Challenge Solubility Code on GitHub

  406. Downloadable eMolecules Datasets

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

  408. Casual Saturdays: Repurpose

  409. Updating Ruby CDK

  410. Science Doesn't Need Journals

  411. Building Chemistry Communities

  412. Learning from StackOverflow: Building Chemistry Communities

  413. Scientific Blogging - Ignore It and Be Ignored?

  414. Casual Saturdays: Correlation

  415. The First InChIKey Collision

  416. CouchDB for Chemistry

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

  418. Antisocial Journals

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

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

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

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

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

  424. ACS To Suspend Print Publication of All Journals

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

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

  427. Casual Saturdays: Building Blocks

  428. Cheminformatics, Crowds, and Cha-Ching

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

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

  431. Casual Saturdays: Twittervision

  432. What's Up With Chempedia?

  433. Sixty-Four Free Chemistry Databases

  434. Casual Saturdays: What's Phase 2?

  435. Interconvert Database Formats in Rails with YamlDB

  436. Substructure Search Idoms: Hydrogen Means Block Substitution

  437. The Bikeshed Effect

  438. $299 ChemWriter Domain Licenses During March

  439. Broken Business Models and Bailouts

  440. Cheminformatics and Micropublication in Chemistry

  441. What the Heck is RDF?

  442. What the Heck is the Semantic Web?

  443. Zusammen: The Other Half of the Story

  444. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  447. Casual Saturdays: Popular Belief

  448. Chemical Substructure Search in SQL

  449. Chemical Informatics Guys Don't Get It

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

  451. Web-Centric Science

  452. Scaling Up Scientific Conversation

  453. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  457. Casual Saturdays: Bobby Tables

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

  459. Open Benchmarks for Cheminformatics: Working with Japex

  460. Merb on JRuby

  461. Exhaustive Ring Perception With MX

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

  463. The Electronic Laboratory Notebook Trap

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

  465. Exhaustive Ring Perception

  466. Reading and Writing SD Files With MX

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

  468. Mr. InChI - Tear Down This Wall

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

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

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

  472. Open Benchmarks for Cheminformatics

  473. Choose Java for Speed

  474. Reading SMILES with MX

  475. Five Questions About the InChI Resolver

  476. Open Source Cheminformatics in Python with MX

  477. Flexible Depth-First Search With MX

  478. Goodbye Subversion, Hello Git and GitHub

  479. Getting Started with MX

  480. Casual Saturdays: Complexity

  481. ChemPhoto Beta-2

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

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

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

  485. One of These Things is Not Like The Others

  486. Casual Saturdays: Business Plan

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

  488. Billions and Billions

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

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

  491. ChemPhoto Beta-1 Now Available

  492. Flying Coach

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

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

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

  496. Casual Saturdays: Shoulders of Giants

  497. PubChem WTF #1

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

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

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

  501. Name That Graph

  502. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  506. What Good is a Scientific Blog?

  507. Casual Saturdays: Blind Trust

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

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

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

  511. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  513. Casual Saturdays: Balkanization

  514. Your Favorite Chemical Spreadsheet

  515. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  521. JavaScript for Cheminformatics - Using the Prototype Framework

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

  523. Encapsulated PostScript for Cheminformatics

  524. Casual Saturdays: There is No Shelf

  525. Grand Challenges in Cheminformatics

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

  527. Casual Saturdays: Mundaneum

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

  529. Validating CAS Numbers

  530. Vector Markup Language for Cheminformatics

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

  532. JavaScript for Cheminformatics

  533. Casual Saturdays: Kinetic Sculpture

  534. 3D Molecule Viewer on the iPhone

  535. Extending InChI Stereochemistry

  536. Scientific Commons: Cleaning Up Science's Basement

  537. Casual Saturdays: How Important is Science Education?

  538. Open Babel 2.2.0

  539. Building Chempedia: Learning About Contributors

  540. ChemWriter 1.3.1

  541. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  542. 3D Molecular Visualization on the Web: OpenAstexViewer

  543. Screencast: Drawing Structures Quickly With ChemWriter

  544. Better Structure Drawing With ChemWriter 1.3.0

  545. Casual Saturdays: A Thousand Years of Darkness

  546. Extreme Data Visualization

  547. Chemistry, The Web, and Netflix

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

  549. Casual Saturdays: Google AppEngine

  550. The Other Vector Graphics Markup Language

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

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

  553. A Simple and Portable Ruby Interface to InChI

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

  555. Small Molecule 3D Coordinates From PubChem

  556. Building Chempedia: Social Networking Applied to Chemistry

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

  558. Building Chempedia - Resizable Structures With ChemWriter

  559. Casual Saturdays: Thinking Inside the Box

  560. Building Chempedia: The Human Element

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

  562. Building Chempedia - Start Simple, Then Iterate

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

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

  565. 1908 and All That: The Long Tail and Chemistry

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

  567. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  568. Just a Flesh Wound

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

  570. Solve Web Application Scaling Problems With Signed Applets

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

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

  573. Building a Technology Company the Old-Fashioned Way

  574. Is reCAPTCHA Trying to Tell Me Something?

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

  576. Yet Another Free Chemistry Database: Pherobase

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

  578. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  580. Casual Saturdays: Periodicity is Just a Theory

  581. ACS Loses $27 Million Case Against Leadscope

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

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

  584. Open Access: Think Globally, Act Locally

  585. NIH Hears Publisher Feedback on Open Access Mandate

  586. Cheminformatics Puzzler #1

  587. Startup School 2008 at Stanford

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

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

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

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

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

  593. How Would Your Cheminformatics Tool Do This?

  594. Casual Saturdays: APOD

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

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

  597. Swing Sightings: SciFinder Web Version

  598. Casual Saturdays: Steampunk

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

  600. Testing Automatic Chemical Structure Recognition with OSRA

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

  602. How Would Your Cheminformatics Tool Do This?

  603. Raiding Chemistry's Data Tombs

  604. Casual Saturdays: Nano

  605. Hacking JSpecView - Enhancing the User Interface

  606. Molecule of the Day: Carminic Acid

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

  608. Filthy Rich Clients

  609. Hacking JSpecView - Creating an HTML Test Harness

  610. Casual Saturdays: Pareidolia

  611. How Would Your Cheminformatics Tool Do This?

  612. Swing Sightings: LigandScout

  613. Hacking JSpecView - Getting Organized with Ant

  614. An Introduction to JSpecView

  615. The New Scientific Publishers

  616. Casual Saturdays: Verge

  617. How Would Your Cheminformatics Tool Do This?

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

  619. Swing Sightings: Chenomx NMR Suite

  620. Science Blogging Anthology Now in Print

  621. ChemWriter Now Available for Download

  622. Casual Saturdays: Nanosolar

  623. My Favorite Eclipse Shortcut - Quick Fix

  624. Subscribe to Depth-First by Email

  625. How Would Your Cheminformatics Tool Do This?

  626. The Fundamental Cheminformatics Toolset

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

  628. A New Beginning or More of the Same?

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

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

  631. How Would Your Cheminformatics Tool Do This?

  632. Casual Saturdays: Entrepreneurship

  633. Security and the Online Chemical Catalog

  634. Simple 3D Conformer Generation with Smi23D

  635. How Would Your Cheminformatics Tool Do This?

  636. Run Babel Anywhere Java Runs with JBabel

  637. Casual Saturdays: Daybreak

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

  639. How Would Your Cheminformatics Tool Do This?

  640. Signal to Noise and the Chemistry Blog

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

  642. Casual Saturdays: Perspective

  643. How Would Your Cheminformatics Tool Do This?

  644. How Would Your Cheminformatics Tool Do This?

  645. SMILES and Aromaticity: Broken?

  646. ChemWriter, Chemical Structures, and the Web

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

  648. Casual Saturdays: Hackintosh

  649. How Would Your Cheminformatics Tool Do This?

  650. Simple Installation of Rubidium

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

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

  653. Casual Saturdays: Cynical Dreamer

  654. Why Web Development is Hard

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

  656. Making the Case: OpenSMILES

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

  658. Parsing SD Files with Ruby and Rubidium

  659. Casual Saturdays: How Television Works

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

  661. How Would Your Cheminformatics Tool Do This?

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

  663. Cheminformatics for Ruby - Getting Started with Rubidium

  664. How Would Your Cheminformatics Tool Do This?

  665. Casual Saturdays: Wikipedia in 2001

  666. Eolas and jActivating - Working Around a Workaround

  667. How Would Your Cheminformatics Tool Do This?

  668. JInChI - Run InChI Anywhere Java Runs

  669. How Would Your Cheminformatics Tool Do This?

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

  671. Casual Saturdays: The Four Elements

  672. Building Rubidium - Creating a RubyForge Project Space

  673. Casual Saturdays: Vishnu

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

  675. How Would Your Cheminformatics Tool Do This?

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

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

  678. Casual Saturdays: Argument Clinic

  679. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  680. How Would Your Cheminformatics Tool Do This?

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

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

  683. JRuby for Cheminformatics - Parsing SMILES Simply

  684. Five Reasons to Start Using JRuby Now

  685. Casual Saturdays: Truthiness

  686. What Makes Wikipedia Tick?

  687. Ruby CDK for Newbies

  688. Designing the Obvious: Permalinks and Paradigms

  689. Can Your Cheminformatics Tool Do This?

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

  691. Casual Saturdays: Wwwwwipeout

  692. Designing the Obvious

  693. InChI for Newbies

  694. PubChem for Newbies

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

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

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

  698. Taming the Wild Things

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

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

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

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

  703. Casual Saturdays: On Conformity

  704. Name That Graph

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

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

  707. OwnTerms: Legal Templates for the Rest of Us

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

  709. Casual Saturdays: Pretty Cool, Huh?

  710. Science Meets YouTube: Embedded JoVE Videos

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

  712. Name That Graph Revealed - Oligarchy 2.0

  713. Modern Approaches to Data Visualization

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

  715. Fighting Comment Spam on the Cheap with CAPTCHA

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

  717. Name That Graph

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

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

  720. ScienceHack: YouTube Meets Chemistry

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

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

  723. Five Ways to Use PubChem Right Now

  724. Googling for Molecules with InChIMatic and Firefly

  725. Java Interface to PubChem's Power User Gateway

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

  727. James Gosling Unplugged

  728. Ten Things That Surprised Me About Blogging

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

  730. Name That Graph

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

  732. The Best 55 Online Periodic Tables

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

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

  735. Conversations with James

  736. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  743. Waldorf Salad

  744. Yet Another Free Chemistry Database: Heterocycles Web Edition

  745. PubChem is a Platform

  746. Manage Your Bibliography with Firefox and Zotero

  747. Starting, Quitting, and Finishing

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

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

  750. Hacking CiteULike - Metascripting with Ruby and Session

  751. Open Notebook Science Using InChIMatic

  752. Everything is Miscellaneous

  753. We Don't Need No Stinkin' Copyright

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

  755. Buggotea: The Problem with Abundance

  756. Can Your Cheminformatics Tool Do This?

  757. Hacking PubChem - Learning to Speak PUG

  758. Hacking PubChem - Power User Gateway

  759. Open Access in Organic Chemistry

  760. RESTful Cheminformatics

  761. Just Say 'No' to Pentavalent Carbon

  762. Flex, Rich Internet Applications, and Cheminformatics

  763. Name That Graph

  764. Simple CAS Number Lookup with PubChem

  765. My InChI Runneth Over

  766. Interactive Ruby Open Babel

  767. Scientific Publication and the Seven Deadly Sins

  768. Hashing InChIs

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

  770. Update: InChI Canonicalization Algorithm

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

  772. Golden Rules for Open Source

  773. Strings and Things

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

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

  776. Self-Referential

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

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

  779. Roll Your Own Chemical Database With Free Components

  780. Structure Diagram Generation

  781. Painless Installation of Ruby Open Babel

  782. Can Your Cheminformatics Tool Do This?

  783. Creating Canonical SMILES with Ruby Open Babel

  784. The Aesthetics of Chemical Structure Diagrams

  785. Rethinking the Command Line for Chemistry

  786. Source Code, Science, and Advertising

  787. Why I Still Don't Use Connotea

  788. SciLink: Science Meets Facebook

  789. Customize InChI Output with Rino

  790. Software, Science, and Startups

  791. Do You Use the Command Line?

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

  793. From IUPAC Name to Molecular Formula with Ruby CDK

  794. Web 2.0 and Chemistry

  795. Yet Another Free Chemistry Database: FooDB

  796. Why the Web Isn't Ready for Chemistry

  797. Bountiful Quantities of Useless Features

  798. Bryan Vickery on What's Broken in Cheminformatics

  799. InChI Spam

  800. Googling for Molecules: New and Improved InChIMatic

  801. Making the Case - Flux-2

  802. The Power of Simple

  803. Octet Fundamentals - Immutable Molecules

  804. Google for Molecules with InChIMatic

  805. Twist and Shout

  806. Woz on Design and Constraints

  807. What's Broken in Cheminformatics?

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

  809. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  815. Thirty-Two Free Chemistry Databases

  816. Making the Case: Topological Maximum Cross Correlation

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

  818. Making the Case: Personal Chemistry Client

  819. Collective Intelligence and the Dumbness of Crowds

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

  821. The Scientific Debate: Digg Meets Science?

  822. ChemRefer: Free Direct Access to the Primary Literature

  823. Decoding InChIs: An Introduction to Ninja

  824. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  826. The Axial Chirality Problem

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

  828. Copyright 2.0 and Open Science

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

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

  831. Dispelling Open Source Confusion: An Introduction to Licenses

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

  833. The (Chemical Information) World is Flat

  834. Scaffolding

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

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

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

  838. Anatomy of a Cheminformatics Web Application: InChIMatic

  839. Making the Case: Similarity by Compression

  840. The Problem with Ferrocene

  841. Hacking Molbank: Creating a Graphical Table of Contents

  842. BioRails

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

  844. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  845. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  847. We Have Met the Enemy and He Is Us

  848. The Open Access Ecosystem

  849. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  850. Scripting Molecular Fingerprints with Ruby CDK

  851. Build a Rails Cheminformatics Application in Thirty Minutes

  852. Unchaining Chemistry from the Desktop

  853. Visualizing Cheminformatics Algorithms

  854. Electric Cars and Open Access

  855. Diversity-Oriented Chemical Informatics

  856. Eleven Free Cheminformatics Scripting Environments

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

  858. Name That Graph

  859. Look Ma, No Applets!

  860. Debabelization

  861. Twelve Free Chemistry Databases

  862. Stone Soup

  863. From SMILES to InChI with OBRuby

  864. Stone Knives and Bear Skins

  865. OBRuby: A Ruby Interface to Open Babel

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

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

  868. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  871. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  875. Compiling C to Java Bytecode

  876. Decoding IUPAC Names With OPSIN

  877. Making the Case

  878. Running Ruby Java Bridge on Windows

  879. Software That Just Works

  880. Hacking PubChem: Direct Access with FTP

  881. Hacking PubChem: Free Speech or Free Beer?

  882. Looking at InChIs

  883. CDK, the Ruby Way: RCDK-0.2.0

  884. Hacking PubChem: Entrez Programming Utilities

  885. Mashups for Fun and Profit

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

  887. Hacking PubChem: Query by SMILES

  888. Point and Shoot Chemical Informatics Software

  889. Decoding InChIs with Rino

  890. Toward an Open, Worldwide Chemical Information Network

  891. Taking a SWIG of InChI

  892. CDK, the Ruby Way

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

  894. Visualizing IUPAC Names with ChemNomParse

  895. Chemical Nomenclature Translation

  896. Generating and Serving 2-D Molecular SVGs

  897. Chemical Reviews on Wikipedia

  898. Rendering Molecules with SVG on the Web

  899. The Automatic Encoding of Chemical Structures

  900. Hacking NMRShiftDB

  901. Peculiarities of Chemical Information

  902. Humanizing Line Notations

  903. Hacking PubChem with Ruby

  904. Drawing 2-D Structures with Structure-CDK

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

  906. Scripting Java Libraries with Ruby Java Bridge

  907. Computational Perception and Recognition of Digitized Molecular Structures

  908. Scripting CDK with JRuby

  909. Readily Available, Without Infringements or Restrictions

  910. Scripting Octet with JRuby

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

  912. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  914. History of Abstracting at Chemical Abstracts Service

  915. 107 Years of Line-Formula Notations (1861-1968)

  916. Ruby and InChI: The Rino Library

  917. Reading Behavior of Chemists

  918. ChemRuby First Look

  919. Changes

  920. InChI Canonicalization Algorithm