Depth-First

Archive

  1. The Geiger Counter

  2. Living with Glioblastoma

  3. Beating Swords into Ploughshares

  4. Growing Pains

  5. Sowing Seeds on Rocky Soil

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

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

  8. Beware Oncologists Bearing Hope

  9. Dichloroacetate

  10. Progression

  11. The California End of Life Option Act

  12. Just Saying "No" to Adjuvant Temozolomide

  13. George

  14. Chemoradiotherapy

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

  16. Tumor Board

  17. The Ambiguously Alarming Brain MRI

  18. The Principle of Least Convenience

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

  20. Deconditioning, Rehabilitation, and Independence

  21. Fall Guy

  22. Buried Alive

  23. Dealing with Brain MRIs

  24. Physical and Cognitive Impairments

  25. The G-Word

  26. Reflections on My Brain Surgery

  27. Brain Surgery or Die in Three Months

  28. The Scary Stuff

  29. I Finally Get that Brain MRI

  30. ER

  31. Everyone Has a Plan

  32. Using the Typestate Pattern with Rust Traits

  33. Conjugated Cycle Selection

  34. Exhaustive Cycle Enumeration in Rust

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

  36. Rethinking Tautomer Representation

  37. Naive Balsa Canonicalization

  38. Balsa Reference Implementation

  39. Direct Molecular Translation

  40. Reading CTfiles with CTcore

  41. CTfile Character Encoding

  42. Dealing with Delocalization

  43. Beyond Stereochemical Templates

  44. Toward a Standard InChI Formal Grammar

  45. Element-to-Atom Mapping in InChI

  46. Trey: A Toolkit for V3000 Molfiles and RGfiles

  47. Introducing Balsa

  48. 18 SMILES Problems as Seen through Twitter Polls

  49. ProtoSMILES

  50. A Dedicated Library for Reading and Writing V3000 CTfiles

  51. TUCAN Canonicalization Revisited

  52. TUCAN Canonicalization

  53. Molecular Identification with TUCAN

  54. An Introduction to DataWarrior

  55. Python Extensions in Pure Rust with Rust-CPython

  56. Big Reaction Data

  57. V3000 Molfile Enhanced Stereochemistry Representation

  58. Graphs from Scratch in Python

  59. Penny Codes

  60. Stereochemistry and the V2000 Molfile Format

  61. A Beginner's Guide to Parsing in Rust

  62. MDL Valence-Mageddon

  63. Ten Reasons to Adopt the V3000 Molfile Format

  64. Typed JavaScript

  65. Types without TypeScript

  66. Molecular Graph Canonicalization

  67. Beyond SMILES

  68. A Rust PostgreSQL Extension for CAS Numbers

  69. Postgres Extensions in Rust

  70. The RDKit/Postgres Ordered Substructure Search Problem

  71. Running the RDKit Postgres Cartridge with Docker

  72. The Trouble with Hückel

  73. Writing Aromatic SMILES

  74. Delocalization-Induced Molecular Equality

  75. Molecular Assembly Index

  76. Standard InChI

  77. Of Zero-Order Bonds and Bonding Systems

  78. InChI Syntax

  79. An Introduction to the ChemDraw CDXML Format

  80. Running InChI Anywhere with WebAssembly

  81. Parsing InChI: It's Complicated

  82. Purr: A SMILES Toolkit for Rust

  83. Fast Hydrogen Counting in SMILES

  84. Benchmarking Iteration from a Rust Trait

  85. Matched Molecular Pairs

  86. SMILES Formal Grammar Revisited

  87. Abstract Syntax Trees for SMILES

  88. A Workbench for Machine Learning in Chemistry

  89. SMILES Reading Performance: RDKit vs ChemCore

  90. Start Seeing Valence and Core Electrons

  91. Running a SMILES Validation Benchmark

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

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

  94. Getting Started with DeepChem

  95. Saying No to Browser UI Frameworks

  96. A Smallest Set of Smallest Rings

  97. SMILES Validation in the Browser

  98. Getting Started with RDKit and Jupyter

  99. Python Extensions in Pure Rust with PyO3

  100. Wrapping Rust Types as Python Classes

  101. A Guide to Molecular Standardization

  102. Reading Large SDfiles in Rust

  103. The SDfile Format

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

  105. Compiling Rust to WebAssembly: A Simple Example

  106. Returning Rust Iterators

  107. OxMol: Rust/Python Bindings for ChemCore

  108. Hydrogen Suppression in SMILES

  109. ChemCore: A Cheminformatics Toolkit for Rust

  110. Let's Build a SMILES Parser in Rust

  111. Hydrogen Suppression in Cheminformatics

  112. Cheminformatics in Rust: Implementing a Minimal Molecule API

  113. Stereochemistry and Atom Parity in SMILES

  114. Multi-Atom Bonding in Cheminformatics

  115. SMILES Formal Grammar

  116. Hydrogen Suppression in Molfiles

  117. A Minimal Molecule API

  118. COVID MoonShot

  119. Azithromycin and COVID-19

  120. Formal Charge and Bond Order are Side Effects

  121. A Brief Introduction to Graph Convolutional Networks

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

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

  124. Graphs in Rust: Introducing Gamma

  125. A Comprehensive Treatment of Aromaticity in the SMILES Language

  126. Graphs in Rust: An Introduction to Petgraph

  127. Rust Ownership by Example

  128. Rust for Cheminformatics

  129. First Steps in WebAssembly: Hello World

  130. A Minimal Graph API

  131. Virtual Hydrogens

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

  133. Security Theater and the Blockchain Project

  134. Compiling InChI to WebAssembly Part 1: Hello InChI

  135. JavaScript for Cheminformatics, Part 2

  136. The SMILES Substructure Search Fallacy

  137. The Maximum Matching Problem

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

  139. Class-Free Object-Oriented Programming

  140. The Language of Organic Chemistry

  141. Distributed Chemistry

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

  143. The NextMove Patent Reaction Dataset

  144. Scanner-Driven Parser Development

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

  146. Computing Extended Connectivity Fingerprints

  147. The Horrifying Future of Scientific Communication

  148. Planes, Trains, and Organic Syntheses

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

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

  151. A Second Failed Test of ACS Articles on Request

  152. Chemical Structure Copy and Paste Problems

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

  154. Solving Organic Chemistry's Oldest Problem

  155. Evernote as an Electronic Lab Notebook (ELN)

  156. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  159. Copyright for Chemists

  160. Anonymous Science and the Survival of BlogSyn

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

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

  163. Reshoring Pharma Jobs

  164. Ambassador for Chemistry?

  165. How to Get a Job Like Mine

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

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

  168. Two Windows are Better Than One

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

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

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

  172. Why Organic Chemistry is Like Facebook

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

  174. Why ACS Must Come Clean on Journal Publication Costs

  175. Education of a Scientist

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

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

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

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

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

  181. Understanding the PyMOL User Interface

  182. Install PyMOL on Mac OS X Snow Leopard

  183. Install PyMOL on Windows

  184. Install PyMOL on Ubuntu Linux

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

  186. An Introduction to Foldit

  187. Easily Install PyMOL on Mac OSX

  188. How to Validate CAS Registry Numbers in JavaScript

  189. Display Inline SVG Using the <img> Tag

  190. Similarity-Potency Trees

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

  192. Shoreline: A Google Closure Project Template

  193. Sixty-Four Free Chemistry Databases

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

  195. Learn WebGL by Building a 3D Molecule Viewer

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

  197. Changes

  198. Drugable.com: Web Software for Drug Discovery

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

  200. Standardization in Lab Automation: The SiLA Consortium

  201. Really Drug-Like Molecules

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

  203. Jmol Without Applets Using Websockets

  204. PicoSpin and the Incredible Shrinking Lab

  205. WebGL and What It Means for Chemistry

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

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

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

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

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

  211. Name That Graph

  212. Just Add Points?

  213. The Mysterious Google Chrome SVG Bug Revisited

  214. 200 Countries and 200 Years in 4 Minutes

  215. The Mysterious Google Chrome SVG Bug

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

  217. Atom Labels Now Available in ChemWriter 2

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

  219. Inkspot Science - Pipeline Pilot for the Cloud?

  220. Google Closure - Building Complex Applications with JavaScript

  221. Building ChemWriter 2 - Pivotal Tracker for Project Management

  222. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  223. Jeux Sans Frontieres

  224. ChemWriter 2 Preview

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

  226. The ACS Versus Leadscope Case

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

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

  229. Predicting Synthetic Accessibility

  230. Name That Graph

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

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

  233. The FDA Unique Ingredient Identifier (UNII)

  234. A Lightweight and Portable Java Interface to InChI

  235. Freeform Natural Laws from Experimental Data

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

  237. Poster at the CDD Community Meeting

  238. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  240. Software Downsizing

  241. Node.js

  242. A Brief Introduction to Lawson Numbers

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

  244. Reading and Translating ChemDraw CDX Files with OpenBabel

  245. A Brief Introduction to the ChemDraw CDX File Format

  246. Scrum in Under Ten Minutes

  247. The Graph Traversal Programming Pattern

  248. Goodbye Paper, Hello Mendeley

  249. NoSQL is Web Scale [NSFW]

  250. Google Does a Spinning Molecule Thingie

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

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

  253. Visual Representation of Query Structures

  254. Whyday and Putting Away Your Best Practices

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

  256. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  258. Building ChemWriter 2 - JavaScript All the Way Down

  259. Mirroring PubChem the Easy Way with PubChem Fu

  260. Rational, Self-Maximizing Actors

  261. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  265. Latest CTFile Formats Specification Available Now from Symyx

  266. 1981 Time Capsule: The Future of Newspaper Publication

  267. The Avalanche of Low-Quality Research?

  268. What About Chempedia?

  269. HTML 5, Mobile Devices, and Chemistry

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

  271. Chemical Inventory Systems: Cheminformatics' Problem Child?

  272. Gigabytes of Chemical Information - Now Free for Download

  273. Chemistry Has a Long Tail - Deal With It

  274. How To Kill the DOI System

  275. Two Chemistry Apps for Mobile Devices

  276. Cheminformatics in JavaScript: JChemHub

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

  278. Awesome People: Andrew Warner

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

  280. Wise People

  281. Practical Chemistry on the Web

  282. The Scientist's Dilemma

  283. Wiley DOI Fail

  284. Wanted: A Few Good Chemists

  285. InChI 1.03 Prerelease

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

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

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

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

  290. Chempedia at the Spring ACS

  291. Jeux Sans Frontieres

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

  293. Smaller, Cheaper, More Powerful

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

  295. Why is Chempedia Lab Failing?

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

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

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

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

  300. Quote of the Week: Print References

  301. Everything Old is New Again: WLN in PubChem

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

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

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

  305. PubCouch: Create Your Own Custom PubChem Subset

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

  307. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  308. PubCouch: A CouchDB Interface to PubChem

  309. The Future of PyMOL

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

  311. StructureDB - A Profiling Session

  312. Talking About Chempedia and the Future of Scientific Communication

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

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

  315. Pinpoint Performance Problems with Google Speed Tracer

  316. JavaScript Survival: Screw.Unit

  317. Casting a Wide Net in Cheminformatics

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

  319. Chempedia Data Downloads: Free as in Free

  320. A Clean, Well-Lit Place for Spectra

  321. Warren DeLano

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

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

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

  325. Chempedia Launch Day Wrapup

  326. Building Chempedia: Heroku, DNS, and Propagation

  327. Welcome to Chempedia!

  328. Avogadro 1.0

  329. Tech Fridays: The Web That Wasn't

  330. Chempedia: A Social Medium for Chemical Information

  331. Building Chempedia - Heroku Deployment First Impressions

  332. Tech Fridays: Galaxy Zoo

  333. The SMILES Antipattern

  334. The Future of Scientific Publication - Role Reversal Ahead

  335. Tech Fridays: Google Web Toolkit

  336. Building Chempedia: Deployment with Heroku and EC2

  337. Drug Discovery on the Web

  338. Last Chance to Win a ChemWriter Domain License

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

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

  341. Is the Electronic Laboratory Notebook Doomed?

  342. A RESTful Interface for Toxicity Prediction

  343. Tech Fridays: Google Chrome Frame

  344. Win a Free ChemWriter License for Your Site

  345. Reverse Auction for Specialty Chemicals

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

  347. Casual Saturdays: Optimistic Design

  348. Tech Fridays: PubSubHubbub

  349. Stereochemistry Puzzler: Answers

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

  351. Stereoisomer Generation

  352. Casual Saturdays: Extreme Testing

  353. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  359. Human Computing

  360. The RESTful Chemical Tracking System Part 2 - Resources

  361. The RESTful Chemical Tracking System Part 1 - Introduction

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

  363. Chemical Information and Marketing

  364. Molecular Modeling for Average Joes

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

  366. Casual Saturdays: Never Assume

  367. Linked Chemical Data @ Google TechTalks

  368. Graph Databases and Cheminformatics - Neo4j

  369. Chemcaster - The REST Web API for Cheminformatics

  370. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  372. MX-1.0 Beta 2

  373. Hashing and the Universal Molecular Identifier

  374. Always Be Testing: Using Mockito in MX

  375. Casual Saturdays: Bird's Eye

  376. Porting MX - CDK-Compatible VF Implementation

  377. Innovation: What Thinking Outside the Box Actually Means

  378. 3D Molecular Visualization with Avogadro

  379. Casual Saturdays - Turtles All The Way Down

  380. Open Source Cheminformatics Tools and Data

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

  382. Beginning of the End for ACS Journal Print Editions

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

  384. Nifty GitHub Features: Integrated Issue Tracking

  385. Casual Saturdays: Linked Data

  386. MX-1.0 Beta 1

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

  388. Small Libraries and GitHub: Applet-Fu

  389. On This Day In Organic Chemistry, 1874

  390. RESTful Substructure Search

  391. Painless Source Code Highlighting with Prettify

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

  393. Name That Graph

  394. Still More Free Chemistry Databases and Web Services

  395. Forking ONS Challenge Solubility Code on GitHub

  396. Downloadable eMolecules Datasets

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

  398. Casual Saturdays: Repurpose

  399. Updating Ruby CDK

  400. Science Doesn't Need Journals

  401. Building Chemistry Communities

  402. Learning from StackOverflow: Building Chemistry Communities

  403. Scientific Blogging - Ignore It and Be Ignored?

  404. Casual Saturdays: Correlation

  405. The First InChIKey Collision

  406. CouchDB for Chemistry

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

  408. Antisocial Journals

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

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

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

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

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

  414. ACS To Suspend Print Publication of All Journals

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

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

  417. Casual Saturdays: Building Blocks

  418. Cheminformatics, Crowds, and Cha-Ching

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

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

  421. Casual Saturdays: Twittervision

  422. What's Up With Chempedia?

  423. Sixty-Four Free Chemistry Databases

  424. Casual Saturdays: What's Phase 2?

  425. Interconvert Database Formats in Rails with YamlDB

  426. Substructure Search Idoms: Hydrogen Means Block Substitution

  427. The Bikeshed Effect

  428. $299 ChemWriter Domain Licenses During March

  429. Broken Business Models and Bailouts

  430. Cheminformatics and Micropublication in Chemistry

  431. What the Heck is RDF?

  432. What the Heck is the Semantic Web?

  433. Zusammen: The Other Half of the Story

  434. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  437. Casual Saturdays: Popular Belief

  438. Chemical Substructure Search in SQL

  439. Chemical Informatics Guys Don't Get It

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

  441. Web-Centric Science

  442. Scaling Up Scientific Conversation

  443. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  447. Casual Saturdays: Bobby Tables

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

  449. Open Benchmarks for Cheminformatics: Working with Japex

  450. Merb on JRuby

  451. Exhaustive Ring Perception With MX

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

  453. The Electronic Laboratory Notebook Trap

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

  455. Exhaustive Ring Perception

  456. Reading and Writing SD Files With MX

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

  458. Mr. InChI - Tear Down This Wall

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

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

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

  462. Open Benchmarks for Cheminformatics

  463. Choose Java for Speed

  464. Reading SMILES with MX

  465. Five Questions About the InChI Resolver

  466. Open Source Cheminformatics in Python with MX

  467. Flexible Depth-First Search With MX

  468. Goodbye Subversion, Hello Git and GitHub

  469. Getting Started with MX

  470. Casual Saturdays: Complexity

  471. ChemPhoto Beta-2

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

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

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

  475. One of These Things is Not Like The Others

  476. Casual Saturdays: Business Plan

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

  478. Billions and Billions

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

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

  481. ChemPhoto Beta-1 Now Available

  482. Flying Coach

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

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

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

  486. Casual Saturdays: Shoulders of Giants

  487. PubChem WTF #1

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

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

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

  491. Name That Graph

  492. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  496. What Good is a Scientific Blog?

  497. Casual Saturdays: Blind Trust

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

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

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

  501. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  503. Casual Saturdays: Balkanization

  504. Your Favorite Chemical Spreadsheet

  505. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  511. JavaScript for Cheminformatics - Using the Prototype Framework

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

  513. Encapsulated PostScript for Cheminformatics

  514. Casual Saturdays: There is No Shelf

  515. Grand Challenges in Cheminformatics

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

  517. Casual Saturdays: Mundaneum

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

  519. Validating CAS Numbers

  520. Vector Markup Language for Cheminformatics

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

  522. JavaScript for Cheminformatics

  523. Casual Saturdays: Kinetic Sculpture

  524. 3D Molecule Viewer on the iPhone

  525. Extending InChI Stereochemistry

  526. Scientific Commons: Cleaning Up Science's Basement

  527. Casual Saturdays: How Important is Science Education?

  528. Open Babel 2.2.0

  529. Building Chempedia: Learning About Contributors

  530. ChemWriter 1.3.1

  531. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  532. 3D Molecular Visualization on the Web: OpenAstexViewer

  533. Screencast: Drawing Structures Quickly With ChemWriter

  534. Better Structure Drawing With ChemWriter 1.3.0

  535. Casual Saturdays: A Thousand Years of Darkness

  536. Extreme Data Visualization

  537. Chemistry, The Web, and Netflix

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

  539. Casual Saturdays: Google AppEngine

  540. The Other Vector Graphics Markup Language

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

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

  543. A Simple and Portable Ruby Interface to InChI

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

  545. Small Molecule 3D Coordinates From PubChem

  546. Building Chempedia: Social Networking Applied to Chemistry

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

  548. Building Chempedia - Resizable Structures With ChemWriter

  549. Casual Saturdays: Thinking Inside the Box

  550. Building Chempedia: The Human Element

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

  552. Building Chempedia - Start Simple, Then Iterate

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

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

  555. 1908 and All That: The Long Tail and Chemistry

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

  557. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  558. Just a Flesh Wound

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

  560. Solve Web Application Scaling Problems With Signed Applets

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

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

  563. Building a Technology Company the Old-Fashioned Way

  564. Is reCAPTCHA Trying to Tell Me Something?

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

  566. Yet Another Free Chemistry Database: Pherobase

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

  568. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  570. Casual Saturdays: Periodicity is Just a Theory

  571. ACS Loses $27 Million Case Against Leadscope

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

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

  574. Open Access: Think Globally, Act Locally

  575. NIH Hears Publisher Feedback on Open Access Mandate

  576. Cheminformatics Puzzler #1

  577. Startup School 2008 at Stanford

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

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

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

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

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

  583. How Would Your Cheminformatics Tool Do This?

  584. Casual Saturdays: APOD

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

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

  587. Swing Sightings: SciFinder Web Version

  588. Casual Saturdays: Steampunk

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

  590. Testing Automatic Chemical Structure Recognition with OSRA

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

  592. How Would Your Cheminformatics Tool Do This?

  593. Raiding Chemistry's Data Tombs

  594. Casual Saturdays: Nano

  595. Hacking JSpecView - Enhancing the User Interface

  596. Molecule of the Day: Carminic Acid

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

  598. Filthy Rich Clients

  599. Hacking JSpecView - Creating an HTML Test Harness

  600. Casual Saturdays: Pareidolia

  601. How Would Your Cheminformatics Tool Do This?

  602. Swing Sightings: LigandScout

  603. Hacking JSpecView - Getting Organized with Ant

  604. An Introduction to JSpecView

  605. The New Scientific Publishers

  606. Casual Saturdays: Verge

  607. How Would Your Cheminformatics Tool Do This?

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

  609. Swing Sightings: Chenomx NMR Suite

  610. Science Blogging Anthology Now in Print

  611. ChemWriter Now Available for Download

  612. Casual Saturdays: Nanosolar

  613. My Favorite Eclipse Shortcut - Quick Fix

  614. How Would Your Cheminformatics Tool Do This?

  615. Subscribe to Depth-First by Email

  616. The Fundamental Cheminformatics Toolset

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

  618. A New Beginning or More of the Same?

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

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

  621. How Would Your Cheminformatics Tool Do This?

  622. Casual Saturdays: Entrepreneurship

  623. Security and the Online Chemical Catalog

  624. Simple 3D Conformer Generation with Smi23D

  625. How Would Your Cheminformatics Tool Do This?

  626. Run Babel Anywhere Java Runs with JBabel

  627. Casual Saturdays: Daybreak

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

  629. How Would Your Cheminformatics Tool Do This?

  630. Signal to Noise and the Chemistry Blog

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

  632. Casual Saturdays: Perspective

  633. How Would Your Cheminformatics Tool Do This?

  634. How Would Your Cheminformatics Tool Do This?

  635. SMILES and Aromaticity: Broken?

  636. ChemWriter, Chemical Structures, and the Web

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

  638. Casual Saturdays: Hackintosh

  639. How Would Your Cheminformatics Tool Do This?

  640. Simple Installation of Rubidium

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

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

  643. Casual Saturdays: Cynical Dreamer

  644. Why Web Development is Hard

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

  646. Making the Case: OpenSMILES

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

  648. Parsing SD Files with Ruby and Rubidium

  649. Casual Saturdays: How Television Works

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

  651. How Would Your Cheminformatics Tool Do This?

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

  653. Cheminformatics for Ruby - Getting Started with Rubidium

  654. How Would Your Cheminformatics Tool Do This?

  655. Casual Saturdays: Wikipedia in 2001

  656. Eolas and jActivating - Working Around a Workaround

  657. How Would Your Cheminformatics Tool Do This?

  658. JInChI - Run InChI Anywhere Java Runs

  659. How Would Your Cheminformatics Tool Do This?

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

  661. Casual Saturdays: The Four Elements

  662. Building Rubidium - Creating a RubyForge Project Space

  663. Casual Saturdays: Vishnu

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

  665. How Would Your Cheminformatics Tool Do This?

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

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

  668. Casual Saturdays: Argument Clinic

  669. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  670. How Would Your Cheminformatics Tool Do This?

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

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

  673. JRuby for Cheminformatics - Parsing SMILES Simply

  674. Five Reasons to Start Using JRuby Now

  675. Casual Saturdays: Truthiness

  676. What Makes Wikipedia Tick?

  677. Ruby CDK for Newbies

  678. Designing the Obvious: Permalinks and Paradigms

  679. Can Your Cheminformatics Tool Do This?

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

  681. Casual Saturdays: Wwwwwipeout

  682. Designing the Obvious

  683. InChI for Newbies

  684. PubChem for Newbies

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

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

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

  688. Taming the Wild Things

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

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

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

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

  693. Casual Saturdays: On Conformity

  694. Name That Graph

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

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

  697. OwnTerms: Legal Templates for the Rest of Us

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

  699. Casual Saturdays: Pretty Cool, Huh?

  700. Science Meets YouTube: Embedded JoVE Videos

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

  702. Name That Graph Revealed - Oligarchy 2.0

  703. Modern Approaches to Data Visualization

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

  705. Fighting Comment Spam on the Cheap with CAPTCHA

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

  707. Name That Graph

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

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

  710. ScienceHack: YouTube Meets Chemistry

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

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

  713. Five Ways to Use PubChem Right Now

  714. Googling for Molecules with InChIMatic and Firefly

  715. Java Interface to PubChem's Power User Gateway

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

  717. James Gosling Unplugged

  718. Ten Things That Surprised Me About Blogging

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

  720. Name That Graph

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

  722. The Best 55 Online Periodic Tables

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

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

  725. Conversations with James

  726. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  733. Waldorf Salad

  734. Yet Another Free Chemistry Database: Heterocycles Web Edition

  735. PubChem is a Platform

  736. Manage Your Bibliography with Firefox and Zotero

  737. Starting, Quitting, and Finishing

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

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

  740. Hacking CiteULike - Metascripting with Ruby and Session

  741. Open Notebook Science Using InChIMatic

  742. Everything is Miscellaneous

  743. We Don't Need No Stinkin' Copyright

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

  745. Buggotea: The Problem with Abundance

  746. Can Your Cheminformatics Tool Do This?

  747. Hacking PubChem - Learning to Speak PUG

  748. Hacking PubChem - Power User Gateway

  749. Open Access in Organic Chemistry

  750. RESTful Cheminformatics

  751. Just Say 'No' to Pentavalent Carbon

  752. Flex, Rich Internet Applications, and Cheminformatics

  753. Name That Graph

  754. Simple CAS Number Lookup with PubChem

  755. My InChI Runneth Over

  756. Interactive Ruby Open Babel

  757. Scientific Publication and the Seven Deadly Sins

  758. Hashing InChIs

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

  760. Update: InChI Canonicalization Algorithm

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

  762. Golden Rules for Open Source

  763. Strings and Things

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

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

  766. Self-Referential

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

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

  769. Roll Your Own Chemical Database With Free Components

  770. Structure Diagram Generation

  771. Painless Installation of Ruby Open Babel

  772. Can Your Cheminformatics Tool Do This?

  773. Creating Canonical SMILES with Ruby Open Babel

  774. The Aesthetics of Chemical Structure Diagrams

  775. Rethinking the Command Line for Chemistry

  776. Source Code, Science, and Advertising

  777. Why I Still Don't Use Connotea

  778. SciLink: Science Meets Facebook

  779. Customize InChI Output with Rino

  780. Software, Science, and Startups

  781. Do You Use the Command Line?

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

  783. From IUPAC Name to Molecular Formula with Ruby CDK

  784. Web 2.0 and Chemistry

  785. Yet Another Free Chemistry Database: FooDB

  786. Why the Web Isn't Ready for Chemistry

  787. Bountiful Quantities of Useless Features

  788. Bryan Vickery on What's Broken in Cheminformatics

  789. Googling for Molecules: New and Improved InChIMatic

  790. InChI Spam

  791. Making the Case - Flux-2

  792. The Power of Simple

  793. Octet Fundamentals - Immutable Molecules

  794. Google for Molecules with InChIMatic

  795. Twist and Shout

  796. Woz on Design and Constraints

  797. What's Broken in Cheminformatics?

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

  799. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  805. Thirty-Two Free Chemistry Databases

  806. Making the Case: Topological Maximum Cross Correlation

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

  808. Making the Case: Personal Chemistry Client

  809. Collective Intelligence and the Dumbness of Crowds

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

  811. The Scientific Debate: Digg Meets Science?

  812. ChemRefer: Free Direct Access to the Primary Literature

  813. FlexMol and Axial Chirality: N-Arylacrylanilides

  814. Decoding InChIs: An Introduction to Ninja

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

  816. The Axial Chirality Problem

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

  818. Copyright 2.0 and Open Science

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

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

  821. Dispelling Open Source Confusion: An Introduction to Licenses

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

  823. The (Chemical Information) World is Flat

  824. Scaffolding

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

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

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

  828. Anatomy of a Cheminformatics Web Application: InChIMatic

  829. Making the Case: Similarity by Compression

  830. The Problem with Ferrocene

  831. Hacking Molbank: Creating a Graphical Table of Contents

  832. BioRails

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

  834. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  835. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  837. We Have Met the Enemy and He Is Us

  838. The Open Access Ecosystem

  839. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  840. Scripting Molecular Fingerprints with Ruby CDK

  841. Build a Rails Cheminformatics Application in Thirty Minutes

  842. Unchaining Chemistry from the Desktop

  843. Visualizing Cheminformatics Algorithms

  844. Electric Cars and Open Access

  845. Diversity-Oriented Chemical Informatics

  846. Eleven Free Cheminformatics Scripting Environments

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

  848. Name That Graph

  849. Look Ma, No Applets!

  850. Debabelization

  851. Twelve Free Chemistry Databases

  852. Stone Soup

  853. From SMILES to InChI with OBRuby

  854. Stone Knives and Bear Skins

  855. OBRuby: A Ruby Interface to Open Babel

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

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

  858. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  861. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  865. Compiling C to Java Bytecode

  866. Decoding IUPAC Names With OPSIN

  867. Making the Case

  868. Running Ruby Java Bridge on Windows

  869. Software That Just Works

  870. Hacking PubChem: Direct Access with FTP

  871. Hacking PubChem: Free Speech or Free Beer?

  872. Looking at InChIs

  873. CDK, the Ruby Way: RCDK-0.2.0

  874. Hacking PubChem: Entrez Programming Utilities

  875. Mashups for Fun and Profit

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

  877. Hacking PubChem: Query by SMILES

  878. Point and Shoot Chemical Informatics Software

  879. Decoding InChIs with Rino

  880. Toward an Open, Worldwide Chemical Information Network

  881. Taking a SWIG of InChI

  882. CDK, the Ruby Way

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

  884. Visualizing IUPAC Names with ChemNomParse

  885. Chemical Nomenclature Translation

  886. Generating and Serving 2-D Molecular SVGs

  887. Chemical Reviews on Wikipedia

  888. Rendering Molecules with SVG on the Web

  889. The Automatic Encoding of Chemical Structures

  890. Hacking NMRShiftDB

  891. Peculiarities of Chemical Information

  892. Humanizing Line Notations

  893. Hacking PubChem with Ruby

  894. Drawing 2-D Structures with Structure-CDK

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

  896. Scripting Java Libraries with Ruby Java Bridge

  897. Computational Perception and Recognition of Digitized Molecular Structures

  898. Scripting CDK with JRuby

  899. Scripting Octet with JRuby

  900. Readily Available, Without Infringements or Restrictions

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

  902. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  904. History of Abstracting at Chemical Abstracts Service

  905. 107 Years of Line-Formula Notations (1861-1968)

  906. Ruby and InChI: The Rino Library

  907. Reading Behavior of Chemists

  908. ChemRuby First Look

  909. Changes

  910. InChI Canonicalization Algorithm