1. Progression

  2. The California End of Life Option Act

  3. Just Saying "No" to Adjuvant Temozolomide

  4. George

  5. Chemoradiotherapy

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

  7. Tumor Board

  8. The Ambiguously Alarming Brain MRI

  9. The Principle of Least Convenience

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

  11. Deconditioning, Rehabilitation, and Independence

  12. Fall Guy

  13. Buried Alive

  14. Dealing with Brain MRIs

  15. Physical and Cognitive Impairments

  16. The G-Word

  17. Reflections on My Brain Surgery

  18. Brain Surgery or Die in Three Months

  19. The Scary Stuff

  20. I Finally Get that Brain MRI

  21. ER

  22. Everyone Has a Plan

  23. Using the Typestate Pattern with Rust Traits

  24. Conjugated Cycle Selection

  25. Exhaustive Cycle Enumeration in Rust

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

  27. Rethinking Tautomer Representation

  28. Naive Balsa Canonicalization

  29. Balsa Reference Implementation

  30. Direct Molecular Translation

  31. Reading CTfiles with CTcore

  32. CTfile Character Encoding

  33. Dealing with Delocalization

  34. Beyond Stereochemical Templates

  35. Toward a Standard InChI Formal Grammar

  36. Element-to-Atom Mapping in InChI

  37. Trey: A Toolkit for V3000 Molfiles and RGfiles

  38. Introducing Balsa

  39. 18 SMILES Problems as Seen through Twitter Polls

  40. ProtoSMILES

  41. A Dedicated Library for Reading and Writing V3000 CTfiles

  42. TUCAN Canonicalization Revisited

  43. TUCAN Canonicalization

  44. Molecular Identification with TUCAN

  45. An Introduction to DataWarrior

  46. Python Extensions in Pure Rust with Rust-CPython

  47. Big Reaction Data

  48. V3000 Molfile Enhanced Stereochemistry Representation

  49. Graphs from Scratch in Python

  50. Penny Codes

  51. Stereochemistry and the V2000 Molfile Format

  52. A Beginner's Guide to Parsing in Rust

  53. MDL Valence-Mageddon

  54. Ten Reasons to Adopt the V3000 Molfile Format

  55. Typed JavaScript

  56. Types without TypeScript

  57. Molecular Graph Canonicalization

  58. Beyond SMILES

  59. A Rust PostgreSQL Extension for CAS Numbers

  60. Postgres Extensions in Rust

  61. The RDKit/Postgres Ordered Substructure Search Problem

  62. Running the RDKit Postgres Cartridge with Docker

  63. The Trouble with Hückel

  64. Writing Aromatic SMILES

  65. Delocalization-Induced Molecular Equality

  66. Molecular Assembly Index

  67. Standard InChI

  68. Of Zero-Order Bonds and Bonding Systems

  69. InChI Syntax

  70. An Introduction to the ChemDraw CDXML Format

  71. Running InChI Anywhere with WebAssembly

  72. Parsing InChI: It's Complicated

  73. Purr: A SMILES Toolkit for Rust

  74. Fast Hydrogen Counting in SMILES

  75. Benchmarking Iteration from a Rust Trait

  76. Matched Molecular Pairs

  77. SMILES Formal Grammar Revisited

  78. Abstract Syntax Trees for SMILES

  79. A Workbench for Machine Learning in Chemistry

  80. SMILES Reading Performance: RDKit vs ChemCore

  81. Start Seeing Valence and Core Electrons

  82. Running a SMILES Validation Benchmark

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

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

  85. Getting Started with DeepChem

  86. Saying No to Browser UI Frameworks

  87. A Smallest Set of Smallest Rings

  88. SMILES Validation in the Browser

  89. Getting Started with RDKit and Jupyter

  90. Python Extensions in Pure Rust with PyO3

  91. Wrapping Rust Types as Python Classes

  92. A Guide to Molecular Standardization

  93. Reading Large SDfiles in Rust

  94. The SDfile Format

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

  96. Compiling Rust to WebAssembly: A Simple Example

  97. Returning Rust Iterators

  98. OxMol: Rust/Python Bindings for ChemCore

  99. Hydrogen Suppression in SMILES

  100. ChemCore: A Cheminformatics Toolkit for Rust

  101. Let's Build a SMILES Parser in Rust

  102. Hydrogen Suppression in Cheminformatics

  103. Cheminformatics in Rust: Implementing a Minimal Molecule API

  104. Stereochemistry and Atom Parity in SMILES

  105. Multi-Atom Bonding in Cheminformatics

  106. SMILES Formal Grammar

  107. Hydrogen Suppression in Molfiles

  108. A Minimal Molecule API

  109. COVID MoonShot

  110. Azithromycin and COVID-19

  111. Formal Charge and Bond Order are Side Effects

  112. A Brief Introduction to Graph Convolutional Networks

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

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

  115. Graphs in Rust: Introducing Gamma

  116. A Comprehensive Treatment of Aromaticity in the SMILES Language

  117. Graphs in Rust: An Introduction to Petgraph

  118. Rust Ownership by Example

  119. Rust for Cheminformatics

  120. First Steps in WebAssembly: Hello World

  121. A Minimal Graph API

  122. Virtual Hydrogens

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

  124. Security Theater and the Blockchain Project

  125. Compiling InChI to WebAssembly Part 1: Hello InChI

  126. JavaScript for Cheminformatics, Part 2

  127. The SMILES Substructure Search Fallacy

  128. The Maximum Matching Problem

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

  130. Class-Free Object-Oriented Programming

  131. The Language of Organic Chemistry

  132. Distributed Chemistry

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

  134. The NextMove Patent Reaction Dataset

  135. Scanner-Driven Parser Development

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

  137. Computing Extended Connectivity Fingerprints

  138. The Horrifying Future of Scientific Communication

  139. Planes, Trains, and Organic Syntheses

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

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

  142. A Second Failed Test of ACS Articles on Request

  143. Chemical Structure Copy and Paste Problems

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

  145. Solving Organic Chemistry's Oldest Problem

  146. Evernote as an Electronic Lab Notebook (ELN)

  147. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  150. Copyright for Chemists

  151. Anonymous Science and the Survival of BlogSyn

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

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

  154. Reshoring Pharma Jobs

  155. Ambassador for Chemistry?

  156. How to Get a Job Like Mine

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

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

  159. Two Windows are Better Than One

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

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

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

  163. Why Organic Chemistry is Like Facebook

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

  165. Why ACS Must Come Clean on Journal Publication Costs

  166. Education of a Scientist

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

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

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

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

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

  172. Understanding the PyMOL User Interface

  173. Install PyMOL on Mac OS X Snow Leopard

  174. Install PyMOL on Windows

  175. Install PyMOL on Ubuntu Linux

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

  177. An Introduction to Foldit

  178. Easily Install PyMOL on Mac OSX

  179. How to Validate CAS Registry Numbers in JavaScript

  180. Display Inline SVG Using the <img> Tag

  181. Similarity-Potency Trees

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

  183. Shoreline: A Google Closure Project Template

  184. Sixty-Four Free Chemistry Databases

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

  186. Learn WebGL by Building a 3D Molecule Viewer

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

  188. Changes

  189. Web Software for Drug Discovery

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

  191. Standardization in Lab Automation: The SiLA Consortium

  192. Really Drug-Like Molecules

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

  194. Jmol Without Applets Using Websockets

  195. PicoSpin and the Incredible Shrinking Lab

  196. WebGL and What It Means for Chemistry

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

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

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

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

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

  202. Name That Graph

  203. Just Add Points?

  204. The Mysterious Google Chrome SVG Bug Revisited

  205. 200 Countries and 200 Years in 4 Minutes

  206. The Mysterious Google Chrome SVG Bug

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

  208. Atom Labels Now Available in ChemWriter 2

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

  210. Inkspot Science - Pipeline Pilot for the Cloud?

  211. Google Closure - Building Complex Applications with JavaScript

  212. Building ChemWriter 2 - Pivotal Tracker for Project Management

  213. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  214. Jeux Sans Frontieres

  215. ChemWriter 2 Preview

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

  217. The ACS Versus Leadscope Case

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

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

  220. Predicting Synthetic Accessibility

  221. Name That Graph

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

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

  224. The FDA Unique Ingredient Identifier (UNII)

  225. A Lightweight and Portable Java Interface to InChI

  226. Freeform Natural Laws from Experimental Data

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

  228. Poster at the CDD Community Meeting

  229. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  231. Software Downsizing

  232. Node.js

  233. A Brief Introduction to Lawson Numbers

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

  235. Reading and Translating ChemDraw CDX Files with OpenBabel

  236. A Brief Introduction to the ChemDraw CDX File Format

  237. Scrum in Under Ten Minutes

  238. The Graph Traversal Programming Pattern

  239. Goodbye Paper, Hello Mendeley

  240. NoSQL is Web Scale [NSFW]

  241. Google Does a Spinning Molecule Thingie

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

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

  244. Visual Representation of Query Structures

  245. Whyday and Putting Away Your Best Practices

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

  247. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  249. Building ChemWriter 2 - JavaScript All the Way Down

  250. Mirroring PubChem the Easy Way with PubChem Fu

  251. Rational, Self-Maximizing Actors

  252. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  256. Latest CTFile Formats Specification Available Now from Symyx

  257. 1981 Time Capsule: The Future of Newspaper Publication

  258. The Avalanche of Low-Quality Research?

  259. What About Chempedia?

  260. HTML 5, Mobile Devices, and Chemistry

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

  262. Chemical Inventory Systems: Cheminformatics' Problem Child?

  263. Gigabytes of Chemical Information - Now Free for Download

  264. Chemistry Has a Long Tail - Deal With It

  265. How To Kill the DOI System

  266. Two Chemistry Apps for Mobile Devices

  267. Cheminformatics in JavaScript: JChemHub

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

  269. Awesome People: Andrew Warner

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

  271. Wise People

  272. Practical Chemistry on the Web

  273. The Scientist's Dilemma

  274. Wiley DOI Fail

  275. Wanted: A Few Good Chemists

  276. InChI 1.03 Prerelease

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

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

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

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

  281. Chempedia at the Spring ACS

  282. Jeux Sans Frontieres

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

  284. Smaller, Cheaper, More Powerful

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

  286. Why is Chempedia Lab Failing?

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

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

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

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

  291. Quote of the Week: Print References

  292. Everything Old is New Again: WLN in PubChem

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

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

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

  296. PubCouch: Create Your Own Custom PubChem Subset

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

  298. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  299. PubCouch: A CouchDB Interface to PubChem

  300. The Future of PyMOL

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

  302. StructureDB - A Profiling Session

  303. Talking About Chempedia and the Future of Scientific Communication

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

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

  306. Pinpoint Performance Problems with Google Speed Tracer

  307. JavaScript Survival: Screw.Unit

  308. Casting a Wide Net in Cheminformatics

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

  310. Chempedia Data Downloads: Free as in Free

  311. A Clean, Well-Lit Place for Spectra

  312. Warren DeLano

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

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

  315. Chempedia Launch Day Wrapup

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

  317. Building Chempedia: Heroku, DNS, and Propagation

  318. Welcome to Chempedia!

  319. Avogadro 1.0

  320. Tech Fridays: The Web That Wasn't

  321. Chempedia: A Social Medium for Chemical Information

  322. Building Chempedia - Heroku Deployment First Impressions

  323. Tech Fridays: Galaxy Zoo

  324. The SMILES Antipattern

  325. The Future of Scientific Publication - Role Reversal Ahead

  326. Tech Fridays: Google Web Toolkit

  327. Building Chempedia: Deployment with Heroku and EC2

  328. Drug Discovery on the Web

  329. Last Chance to Win a ChemWriter Domain License

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

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

  332. Is the Electronic Laboratory Notebook Doomed?

  333. A RESTful Interface for Toxicity Prediction

  334. Tech Fridays: Google Chrome Frame

  335. Win a Free ChemWriter License for Your Site

  336. Reverse Auction for Specialty Chemicals

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

  338. Casual Saturdays: Optimistic Design

  339. Tech Fridays: PubSubHubbub

  340. Stereochemistry Puzzler: Answers

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

  342. Stereoisomer Generation

  343. Casual Saturdays: Extreme Testing

  344. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  350. Human Computing

  351. The RESTful Chemical Tracking System Part 2 - Resources

  352. The RESTful Chemical Tracking System Part 1 - Introduction

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

  354. Chemical Information and Marketing

  355. Molecular Modeling for Average Joes

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

  357. Casual Saturdays: Never Assume

  358. Linked Chemical Data @ Google TechTalks

  359. Graph Databases and Cheminformatics - Neo4j

  360. Chemcaster - The REST Web API for Cheminformatics

  361. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  363. MX-1.0 Beta 2

  364. Hashing and the Universal Molecular Identifier

  365. Always Be Testing: Using Mockito in MX

  366. Casual Saturdays: Bird's Eye

  367. Porting MX - CDK-Compatible VF Implementation

  368. Innovation: What Thinking Outside the Box Actually Means

  369. 3D Molecular Visualization with Avogadro

  370. Casual Saturdays - Turtles All The Way Down

  371. Open Source Cheminformatics Tools and Data

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

  373. Beginning of the End for ACS Journal Print Editions

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

  375. Nifty GitHub Features: Integrated Issue Tracking

  376. Casual Saturdays: Linked Data

  377. MX-1.0 Beta 1

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

  379. Small Libraries and GitHub: Applet-Fu

  380. On This Day In Organic Chemistry, 1874

  381. RESTful Substructure Search

  382. Painless Source Code Highlighting with Prettify

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

  384. Name That Graph

  385. Still More Free Chemistry Databases and Web Services

  386. Forking ONS Challenge Solubility Code on GitHub

  387. Downloadable eMolecules Datasets

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

  389. Casual Saturdays: Repurpose

  390. Updating Ruby CDK

  391. Science Doesn't Need Journals

  392. Building Chemistry Communities

  393. Learning from StackOverflow: Building Chemistry Communities

  394. Scientific Blogging - Ignore It and Be Ignored?

  395. Casual Saturdays: Correlation

  396. The First InChIKey Collision

  397. CouchDB for Chemistry

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

  399. Antisocial Journals

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

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

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

  403. Getting Real With Electronic Laboratory Notebooks -

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

  405. ACS To Suspend Print Publication of All Journals

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

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

  408. Casual Saturdays: Building Blocks

  409. Cheminformatics, Crowds, and Cha-Ching

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

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

  412. Casual Saturdays: Twittervision

  413. What's Up With Chempedia?

  414. Sixty-Four Free Chemistry Databases

  415. Casual Saturdays: What's Phase 2?

  416. Interconvert Database Formats in Rails with YamlDB

  417. Substructure Search Idoms: Hydrogen Means Block Substitution

  418. The Bikeshed Effect

  419. $299 ChemWriter Domain Licenses During March

  420. Broken Business Models and Bailouts

  421. Cheminformatics and Micropublication in Chemistry

  422. What the Heck is RDF?

  423. What the Heck is the Semantic Web?

  424. Zusammen: The Other Half of the Story

  425. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  428. Casual Saturdays: Popular Belief

  429. Chemical Substructure Search in SQL

  430. Chemical Informatics Guys Don't Get It

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

  432. Web-Centric Science

  433. Scaling Up Scientific Conversation

  434. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  438. Casual Saturdays: Bobby Tables

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

  440. Open Benchmarks for Cheminformatics: Working with Japex

  441. Merb on JRuby

  442. Exhaustive Ring Perception With MX

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

  444. The Electronic Laboratory Notebook Trap

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

  446. Exhaustive Ring Perception

  447. Reading and Writing SD Files With MX

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

  449. Mr. InChI - Tear Down This Wall

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

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

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

  453. Open Benchmarks for Cheminformatics

  454. Choose Java for Speed

  455. Reading SMILES with MX

  456. Five Questions About the InChI Resolver

  457. Open Source Cheminformatics in Python with MX

  458. Flexible Depth-First Search With MX

  459. Goodbye Subversion, Hello Git and GitHub

  460. Getting Started with MX

  461. Casual Saturdays: Complexity

  462. ChemPhoto Beta-2

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

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

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

  466. One of These Things is Not Like The Others

  467. Casual Saturdays: Business Plan

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

  469. Billions and Billions

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

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

  472. ChemPhoto Beta-1 Now Available

  473. Flying Coach

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

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

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

  477. Casual Saturdays: Shoulders of Giants

  478. PubChem WTF #1

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

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

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

  482. Name That Graph

  483. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  487. What Good is a Scientific Blog?

  488. Casual Saturdays: Blind Trust

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

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

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

  492. Stack Overflow - Technical Discussion Forums and Modern Chemistry

  493. Book Review - Practical Prototype and

  494. Casual Saturdays: Balkanization

  495. Your Favorite Chemical Spreadsheet

  496. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  502. JavaScript for Cheminformatics - Using the Prototype Framework

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

  504. Encapsulated PostScript for Cheminformatics

  505. Casual Saturdays: There is No Shelf

  506. Grand Challenges in Cheminformatics

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

  508. Casual Saturdays: Mundaneum

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

  510. Validating CAS Numbers

  511. Vector Markup Language for Cheminformatics

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

  513. JavaScript for Cheminformatics

  514. Casual Saturdays: Kinetic Sculpture

  515. 3D Molecule Viewer on the iPhone

  516. Extending InChI Stereochemistry

  517. Scientific Commons: Cleaning Up Science's Basement

  518. Casual Saturdays: How Important is Science Education?

  519. Open Babel 2.2.0

  520. Building Chempedia: Learning About Contributors

  521. ChemWriter 1.3.1

  522. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  523. 3D Molecular Visualization on the Web: OpenAstexViewer

  524. Screencast: Drawing Structures Quickly With ChemWriter

  525. Better Structure Drawing With ChemWriter 1.3.0

  526. Casual Saturdays: A Thousand Years of Darkness

  527. Extreme Data Visualization

  528. Chemistry, The Web, and Netflix

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

  530. Casual Saturdays: Google AppEngine

  531. The Other Vector Graphics Markup Language

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

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

  534. A Simple and Portable Ruby Interface to InChI

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

  536. Small Molecule 3D Coordinates From PubChem

  537. Building Chempedia: Social Networking Applied to Chemistry

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

  539. Building Chempedia - Resizable Structures With ChemWriter

  540. Casual Saturdays: Thinking Inside the Box

  541. Building Chempedia: The Human Element

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

  543. Building Chempedia - Start Simple, Then Iterate

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

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

  546. 1908 and All That: The Long Tail and Chemistry

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

  548. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  549. Just a Flesh Wound

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

  551. Solve Web Application Scaling Problems With Signed Applets

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

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

  554. Building a Technology Company the Old-Fashioned Way

  555. Is reCAPTCHA Trying to Tell Me Something?

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

  557. Yet Another Free Chemistry Database: Pherobase

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

  559. - Mashing Up PubChem and Wikipedia

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

  561. Casual Saturdays: Periodicity is Just a Theory

  562. ACS Loses $27 Million Case Against Leadscope

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

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

  565. Open Access: Think Globally, Act Locally

  566. NIH Hears Publisher Feedback on Open Access Mandate

  567. Cheminformatics Puzzler #1

  568. Startup School 2008 at Stanford

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

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

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

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

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

  574. How Would Your Cheminformatics Tool Do This?

  575. Casual Saturdays: APOD

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

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

  578. Swing Sightings: SciFinder Web Version

  579. Casual Saturdays: Steampunk

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

  581. Testing Automatic Chemical Structure Recognition with OSRA

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

  583. How Would Your Cheminformatics Tool Do This?

  584. Raiding Chemistry's Data Tombs

  585. Casual Saturdays: Nano

  586. Hacking JSpecView - Enhancing the User Interface

  587. Molecule of the Day: Carminic Acid

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

  589. Filthy Rich Clients

  590. Hacking JSpecView - Creating an HTML Test Harness

  591. Casual Saturdays: Pareidolia

  592. How Would Your Cheminformatics Tool Do This?

  593. Swing Sightings: LigandScout

  594. Hacking JSpecView - Getting Organized with Ant

  595. An Introduction to JSpecView

  596. The New Scientific Publishers

  597. Casual Saturdays: Verge

  598. How Would Your Cheminformatics Tool Do This?

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

  600. Swing Sightings: Chenomx NMR Suite

  601. Science Blogging Anthology Now in Print

  602. ChemWriter Now Available for Download

  603. Casual Saturdays: Nanosolar

  604. My Favorite Eclipse Shortcut - Quick Fix

  605. How Would Your Cheminformatics Tool Do This?

  606. Subscribe to Depth-First by Email

  607. The Fundamental Cheminformatics Toolset

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

  609. A New Beginning or More of the Same?

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

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

  612. How Would Your Cheminformatics Tool Do This?

  613. Casual Saturdays: Entrepreneurship

  614. Security and the Online Chemical Catalog

  615. Simple 3D Conformer Generation with Smi23D

  616. How Would Your Cheminformatics Tool Do This?

  617. Run Babel Anywhere Java Runs with JBabel

  618. Casual Saturdays: Daybreak

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

  620. How Would Your Cheminformatics Tool Do This?

  621. Signal to Noise and the Chemistry Blog

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

  623. Casual Saturdays: Perspective

  624. How Would Your Cheminformatics Tool Do This?

  625. How Would Your Cheminformatics Tool Do This?

  626. SMILES and Aromaticity: Broken?

  627. ChemWriter, Chemical Structures, and the Web

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

  629. Casual Saturdays: Hackintosh

  630. How Would Your Cheminformatics Tool Do This?

  631. Simple Installation of Rubidium

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

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

  634. Casual Saturdays: Cynical Dreamer

  635. Why Web Development is Hard

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

  637. Making the Case: OpenSMILES

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

  639. Parsing SD Files with Ruby and Rubidium

  640. Casual Saturdays: How Television Works

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

  642. How Would Your Cheminformatics Tool Do This?

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

  644. Cheminformatics for Ruby - Getting Started with Rubidium

  645. How Would Your Cheminformatics Tool Do This?

  646. Casual Saturdays: Wikipedia in 2001

  647. Eolas and jActivating - Working Around a Workaround

  648. How Would Your Cheminformatics Tool Do This?

  649. JInChI - Run InChI Anywhere Java Runs

  650. How Would Your Cheminformatics Tool Do This?

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

  652. Casual Saturdays: The Four Elements

  653. Building Rubidium - Creating a RubyForge Project Space

  654. Casual Saturdays: Vishnu

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

  656. How Would Your Cheminformatics Tool Do This?

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

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

  659. Casual Saturdays: Argument Clinic

  660. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  661. How Would Your Cheminformatics Tool Do This?

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

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

  664. JRuby for Cheminformatics - Parsing SMILES Simply

  665. Five Reasons to Start Using JRuby Now

  666. Casual Saturdays: Truthiness

  667. What Makes Wikipedia Tick?

  668. Ruby CDK for Newbies

  669. Designing the Obvious: Permalinks and Paradigms

  670. Can Your Cheminformatics Tool Do This?

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

  672. Casual Saturdays: Wwwwwipeout

  673. Designing the Obvious

  674. InChI for Newbies

  675. PubChem for Newbies

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

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

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

  679. Taming the Wild Things

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

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

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

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

  684. Casual Saturdays: On Conformity

  685. Name That Graph

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

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

  688. OwnTerms: Legal Templates for the Rest of Us

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

  690. Casual Saturdays: Pretty Cool, Huh?

  691. Science Meets YouTube: Embedded JoVE Videos

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

  693. Name That Graph Revealed - Oligarchy 2.0

  694. Modern Approaches to Data Visualization

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

  696. Fighting Comment Spam on the Cheap with CAPTCHA

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

  698. Name That Graph

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

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

  701. ScienceHack: YouTube Meets Chemistry

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

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

  704. Five Ways to Use PubChem Right Now

  705. Googling for Molecules with InChIMatic and Firefly

  706. Java Interface to PubChem's Power User Gateway

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

  708. James Gosling Unplugged

  709. Ten Things That Surprised Me About Blogging

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

  711. Name That Graph

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

  713. The Best 55 Online Periodic Tables

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

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

  716. Conversations with James

  717. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  724. Waldorf Salad

  725. Yet Another Free Chemistry Database: Heterocycles Web Edition

  726. PubChem is a Platform

  727. Manage Your Bibliography with Firefox and Zotero

  728. Starting, Quitting, and Finishing

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

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

  731. Hacking CiteULike - Metascripting with Ruby and Session

  732. Open Notebook Science Using InChIMatic

  733. Everything is Miscellaneous

  734. We Don't Need No Stinkin' Copyright

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

  736. Buggotea: The Problem with Abundance

  737. Can Your Cheminformatics Tool Do This?

  738. Hacking PubChem - Learning to Speak PUG

  739. Hacking PubChem - Power User Gateway

  740. Open Access in Organic Chemistry

  741. RESTful Cheminformatics

  742. Just Say 'No' to Pentavalent Carbon

  743. Flex, Rich Internet Applications, and Cheminformatics

  744. Name That Graph

  745. Simple CAS Number Lookup with PubChem

  746. My InChI Runneth Over

  747. Interactive Ruby Open Babel

  748. Scientific Publication and the Seven Deadly Sins

  749. Hashing InChIs

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

  751. Update: InChI Canonicalization Algorithm

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

  753. Golden Rules for Open Source

  754. Strings and Things

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

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

  757. Self-Referential

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

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

  760. Roll Your Own Chemical Database With Free Components

  761. Structure Diagram Generation

  762. Painless Installation of Ruby Open Babel

  763. Can Your Cheminformatics Tool Do This?

  764. Creating Canonical SMILES with Ruby Open Babel

  765. The Aesthetics of Chemical Structure Diagrams

  766. Rethinking the Command Line for Chemistry

  767. Source Code, Science, and Advertising

  768. Why I Still Don't Use Connotea

  769. SciLink: Science Meets Facebook

  770. Customize InChI Output with Rino

  771. Software, Science, and Startups

  772. Do You Use the Command Line?

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

  774. From IUPAC Name to Molecular Formula with Ruby CDK

  775. Web 2.0 and Chemistry

  776. Yet Another Free Chemistry Database: FooDB

  777. Why the Web Isn't Ready for Chemistry

  778. Bountiful Quantities of Useless Features

  779. Bryan Vickery on What's Broken in Cheminformatics

  780. Googling for Molecules: New and Improved InChIMatic

  781. InChI Spam

  782. Making the Case - Flux-2

  783. The Power of Simple

  784. Octet Fundamentals - Immutable Molecules

  785. Google for Molecules with InChIMatic

  786. Twist and Shout

  787. Woz on Design and Constraints

  788. What's Broken in Cheminformatics?

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

  790. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  796. Thirty-Two Free Chemistry Databases

  797. Making the Case: Topological Maximum Cross Correlation

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

  799. Making the Case: Personal Chemistry Client

  800. Collective Intelligence and the Dumbness of Crowds

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

  802. The Scientific Debate: Digg Meets Science?

  803. ChemRefer: Free Direct Access to the Primary Literature

  804. Decoding InChIs: An Introduction to Ninja

  805. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  807. The Axial Chirality Problem

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

  809. Copyright 2.0 and Open Science

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

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

  812. Dispelling Open Source Confusion: An Introduction to Licenses

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

  814. The (Chemical Information) World is Flat

  815. Scaffolding

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

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

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

  819. Anatomy of a Cheminformatics Web Application: InChIMatic

  820. Making the Case: Similarity by Compression

  821. The Problem with Ferrocene

  822. Hacking Molbank: Creating a Graphical Table of Contents

  823. BioRails

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

  825. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  826. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  828. We Have Met the Enemy and He Is Us

  829. The Open Access Ecosystem

  830. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  831. Scripting Molecular Fingerprints with Ruby CDK

  832. Build a Rails Cheminformatics Application in Thirty Minutes

  833. Unchaining Chemistry from the Desktop

  834. Visualizing Cheminformatics Algorithms

  835. Electric Cars and Open Access

  836. Diversity-Oriented Chemical Informatics

  837. Eleven Free Cheminformatics Scripting Environments

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

  839. Name That Graph

  840. Look Ma, No Applets!

  841. Debabelization

  842. Twelve Free Chemistry Databases

  843. Stone Soup

  844. From SMILES to InChI with OBRuby

  845. Stone Knives and Bear Skins

  846. OBRuby: A Ruby Interface to Open Babel

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

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

  849. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  852. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  856. Compiling C to Java Bytecode

  857. Decoding IUPAC Names With OPSIN

  858. Making the Case

  859. Running Ruby Java Bridge on Windows

  860. Software That Just Works

  861. Hacking PubChem: Direct Access with FTP

  862. Hacking PubChem: Free Speech or Free Beer?

  863. Looking at InChIs

  864. CDK, the Ruby Way: RCDK-0.2.0

  865. Hacking PubChem: Entrez Programming Utilities

  866. Mashups for Fun and Profit

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

  868. Hacking PubChem: Query by SMILES

  869. Point and Shoot Chemical Informatics Software

  870. Decoding InChIs with Rino

  871. Toward an Open, Worldwide Chemical Information Network

  872. Taking a SWIG of InChI

  873. CDK, the Ruby Way

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

  875. Visualizing IUPAC Names with ChemNomParse

  876. Chemical Nomenclature Translation

  877. Generating and Serving 2-D Molecular SVGs

  878. Chemical Reviews on Wikipedia

  879. Rendering Molecules with SVG on the Web

  880. The Automatic Encoding of Chemical Structures

  881. Hacking NMRShiftDB

  882. Peculiarities of Chemical Information

  883. Humanizing Line Notations

  884. Hacking PubChem with Ruby

  885. Drawing 2-D Structures with Structure-CDK

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

  887. Scripting Java Libraries with Ruby Java Bridge

  888. Computational Perception and Recognition of Digitized Molecular Structures

  889. Scripting CDK with JRuby

  890. Readily Available, Without Infringements or Restrictions

  891. Scripting Octet with JRuby

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

  893. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  895. History of Abstracting at Chemical Abstracts Service

  896. 107 Years of Line-Formula Notations (1861-1968)

  897. Ruby and InChI: The Rino Library

  898. Reading Behavior of Chemists

  899. ChemRuby First Look

  900. Changes

  901. InChI Canonicalization Algorithm