Depth-First

Archive

  1. Round Two

  2. Median

  3. My Struggle for a Good Death

  4. The Witness

  5. Opting out of Optune

  6. DCA and Me

  7. Crystal Gardens

  8. The Geiger Counter

  9. Living with Glioblastoma

  10. Beating Swords into Ploughshares

  11. Growing Pains

  12. Sowing Seeds on Rocky Soil

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

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

  15. Beware Oncologists Bearing Hope

  16. Dichloroacetate

  17. Progression

  18. The California End of Life Option Act

  19. Just Saying "No" to Adjuvant Temozolomide

  20. George

  21. Chemoradiotherapy

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

  23. Tumor Board

  24. The Ambiguously Alarming Brain MRI

  25. The Principle of Least Convenience

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

  27. Deconditioning, Rehabilitation, and Independence

  28. Fall Guy

  29. Buried Alive

  30. Dealing with Brain MRIs

  31. Physical and Cognitive Impairments

  32. The G-Word

  33. Reflections on My Brain Surgery

  34. Brain Surgery or Die in Three Months

  35. The Scary Stuff

  36. I Finally Get that Brain MRI

  37. ER

  38. Everyone Has a Plan

  39. Using the Typestate Pattern with Rust Traits

  40. Conjugated Cycle Selection

  41. Exhaustive Cycle Enumeration in Rust

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

  43. Rethinking Tautomer Representation

  44. Naive Balsa Canonicalization

  45. Balsa Reference Implementation

  46. Direct Molecular Translation

  47. Reading CTfiles with CTcore

  48. CTfile Character Encoding

  49. Dealing with Delocalization

  50. Beyond Stereochemical Templates

  51. Toward a Standard InChI Formal Grammar

  52. Element-to-Atom Mapping in InChI

  53. Trey: A Toolkit for V3000 Molfiles and RGfiles

  54. Introducing Balsa

  55. 18 SMILES Problems as Seen through Twitter Polls

  56. ProtoSMILES

  57. A Dedicated Library for Reading and Writing V3000 CTfiles

  58. TUCAN Canonicalization Revisited

  59. TUCAN Canonicalization

  60. Molecular Identification with TUCAN

  61. An Introduction to DataWarrior

  62. Python Extensions in Pure Rust with Rust-CPython

  63. Big Reaction Data

  64. V3000 Molfile Enhanced Stereochemistry Representation

  65. Graphs from Scratch in Python

  66. Penny Codes

  67. Stereochemistry and the V2000 Molfile Format

  68. A Beginner's Guide to Parsing in Rust

  69. MDL Valence-Mageddon

  70. Ten Reasons to Adopt the V3000 Molfile Format

  71. Typed JavaScript

  72. Types without TypeScript

  73. Molecular Graph Canonicalization

  74. Beyond SMILES

  75. A Rust PostgreSQL Extension for CAS Numbers

  76. Postgres Extensions in Rust

  77. The RDKit/Postgres Ordered Substructure Search Problem

  78. Running the RDKit Postgres Cartridge with Docker

  79. The Trouble with Hückel

  80. Writing Aromatic SMILES

  81. Delocalization-Induced Molecular Equality

  82. Molecular Assembly Index

  83. Standard InChI

  84. Of Zero-Order Bonds and Bonding Systems

  85. InChI Syntax

  86. An Introduction to the ChemDraw CDXML Format

  87. Running InChI Anywhere with WebAssembly

  88. Parsing InChI: It's Complicated

  89. Purr: A SMILES Toolkit for Rust

  90. Fast Hydrogen Counting in SMILES

  91. Benchmarking Iteration from a Rust Trait

  92. Matched Molecular Pairs

  93. SMILES Formal Grammar Revisited

  94. Abstract Syntax Trees for SMILES

  95. A Workbench for Machine Learning in Chemistry

  96. SMILES Reading Performance: RDKit vs ChemCore

  97. Start Seeing Valence and Core Electrons

  98. Running a SMILES Validation Benchmark

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

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

  101. Getting Started with DeepChem

  102. Saying No to Browser UI Frameworks

  103. A Smallest Set of Smallest Rings

  104. SMILES Validation in the Browser

  105. Getting Started with RDKit and Jupyter

  106. Python Extensions in Pure Rust with PyO3

  107. Wrapping Rust Types as Python Classes

  108. A Guide to Molecular Standardization

  109. Reading Large SDfiles in Rust

  110. The SDfile Format

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

  112. Compiling Rust to WebAssembly: A Simple Example

  113. Returning Rust Iterators

  114. OxMol: Rust/Python Bindings for ChemCore

  115. Hydrogen Suppression in SMILES

  116. ChemCore: A Cheminformatics Toolkit for Rust

  117. Let's Build a SMILES Parser in Rust

  118. Hydrogen Suppression in Cheminformatics

  119. Cheminformatics in Rust: Implementing a Minimal Molecule API

  120. Stereochemistry and Atom Parity in SMILES

  121. Multi-Atom Bonding in Cheminformatics

  122. SMILES Formal Grammar

  123. Hydrogen Suppression in Molfiles

  124. A Minimal Molecule API

  125. COVID MoonShot

  126. Azithromycin and COVID-19

  127. Formal Charge and Bond Order are Side Effects

  128. A Brief Introduction to Graph Convolutional Networks

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

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

  131. Graphs in Rust: Introducing Gamma

  132. A Comprehensive Treatment of Aromaticity in the SMILES Language

  133. Graphs in Rust: An Introduction to Petgraph

  134. Rust Ownership by Example

  135. Rust for Cheminformatics

  136. First Steps in WebAssembly: Hello World

  137. A Minimal Graph API

  138. Virtual Hydrogens

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

  140. Security Theater and the Blockchain Project

  141. Compiling InChI to WebAssembly Part 1: Hello InChI

  142. JavaScript for Cheminformatics, Part 2

  143. The SMILES Substructure Search Fallacy

  144. The Maximum Matching Problem

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

  146. Class-Free Object-Oriented Programming

  147. The Language of Organic Chemistry

  148. Distributed Chemistry

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

  150. The NextMove Patent Reaction Dataset

  151. Scanner-Driven Parser Development

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

  153. Computing Extended Connectivity Fingerprints

  154. The Horrifying Future of Scientific Communication

  155. Planes, Trains, and Organic Syntheses

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

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

  158. A Second Failed Test of ACS Articles on Request

  159. Chemical Structure Copy and Paste Problems

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

  161. Solving Organic Chemistry's Oldest Problem

  162. Evernote as an Electronic Lab Notebook (ELN)

  163. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  166. Copyright for Chemists

  167. Anonymous Science and the Survival of BlogSyn

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

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

  170. Reshoring Pharma Jobs

  171. Ambassador for Chemistry?

  172. How to Get a Job Like Mine

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

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

  175. Two Windows are Better Than One

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

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

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

  179. Why Organic Chemistry is Like Facebook

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

  181. Why ACS Must Come Clean on Journal Publication Costs

  182. Education of a Scientist

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

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

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

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

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

  188. Understanding the PyMOL User Interface

  189. Install PyMOL on Mac OS X Snow Leopard

  190. Install PyMOL on Windows

  191. Install PyMOL on Ubuntu Linux

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

  193. An Introduction to Foldit

  194. Easily Install PyMOL on Mac OSX

  195. How to Validate CAS Registry Numbers in JavaScript

  196. Display Inline SVG Using the <img> Tag

  197. Similarity-Potency Trees

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

  199. Shoreline: A Google Closure Project Template

  200. Sixty-Four Free Chemistry Databases

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

  202. Learn WebGL by Building a 3D Molecule Viewer

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

  204. Changes

  205. Drugable.com: Web Software for Drug Discovery

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

  207. Standardization in Lab Automation: The SiLA Consortium

  208. Really Drug-Like Molecules

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

  210. Jmol Without Applets Using Websockets

  211. PicoSpin and the Incredible Shrinking Lab

  212. WebGL and What It Means for Chemistry

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

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

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

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

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

  218. Name That Graph

  219. Just Add Points?

  220. The Mysterious Google Chrome SVG Bug Revisited

  221. 200 Countries and 200 Years in 4 Minutes

  222. The Mysterious Google Chrome SVG Bug

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

  224. Atom Labels Now Available in ChemWriter 2

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

  226. Inkspot Science - Pipeline Pilot for the Cloud?

  227. Google Closure - Building Complex Applications with JavaScript

  228. Building ChemWriter 2 - Pivotal Tracker for Project Management

  229. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  230. Jeux Sans Frontieres

  231. ChemWriter 2 Preview

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

  233. The ACS Versus Leadscope Case

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

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

  236. Predicting Synthetic Accessibility

  237. Name That Graph

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

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

  240. The FDA Unique Ingredient Identifier (UNII)

  241. A Lightweight and Portable Java Interface to InChI

  242. Freeform Natural Laws from Experimental Data

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

  244. Poster at the CDD Community Meeting

  245. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  247. Software Downsizing

  248. Node.js

  249. A Brief Introduction to Lawson Numbers

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

  251. Reading and Translating ChemDraw CDX Files with OpenBabel

  252. A Brief Introduction to the ChemDraw CDX File Format

  253. Scrum in Under Ten Minutes

  254. The Graph Traversal Programming Pattern

  255. Goodbye Paper, Hello Mendeley

  256. NoSQL is Web Scale [NSFW]

  257. Google Does a Spinning Molecule Thingie

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

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

  260. Visual Representation of Query Structures

  261. Whyday and Putting Away Your Best Practices

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

  263. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  265. Building ChemWriter 2 - JavaScript All the Way Down

  266. Mirroring PubChem the Easy Way with PubChem Fu

  267. Rational, Self-Maximizing Actors

  268. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  272. Latest CTFile Formats Specification Available Now from Symyx

  273. 1981 Time Capsule: The Future of Newspaper Publication

  274. The Avalanche of Low-Quality Research?

  275. What About Chempedia?

  276. HTML 5, Mobile Devices, and Chemistry

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

  278. Chemical Inventory Systems: Cheminformatics' Problem Child?

  279. Gigabytes of Chemical Information - Now Free for Download

  280. Chemistry Has a Long Tail - Deal With It

  281. How To Kill the DOI System

  282. Two Chemistry Apps for Mobile Devices

  283. Cheminformatics in JavaScript: JChemHub

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

  285. Awesome People: Andrew Warner

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

  287. Wise People

  288. Practical Chemistry on the Web

  289. The Scientist's Dilemma

  290. Wiley DOI Fail

  291. Wanted: A Few Good Chemists

  292. InChI 1.03 Prerelease

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

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

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

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

  297. Chempedia at the Spring ACS

  298. Jeux Sans Frontieres

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

  300. Smaller, Cheaper, More Powerful

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

  302. Why is Chempedia Lab Failing?

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

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

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

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

  307. Quote of the Week: Print References

  308. Everything Old is New Again: WLN in PubChem

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

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

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

  312. PubCouch: Create Your Own Custom PubChem Subset

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

  314. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  315. PubCouch: A CouchDB Interface to PubChem

  316. The Future of PyMOL

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

  318. StructureDB - A Profiling Session

  319. Talking About Chempedia and the Future of Scientific Communication

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

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

  322. Pinpoint Performance Problems with Google Speed Tracer

  323. JavaScript Survival: Screw.Unit

  324. Casting a Wide Net in Cheminformatics

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

  326. Chempedia Data Downloads: Free as in Free

  327. A Clean, Well-Lit Place for Spectra

  328. Warren DeLano

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

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

  331. Chempedia Launch Day Wrapup

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

  333. Building Chempedia: Heroku, DNS, and Propagation

  334. Welcome to Chempedia!

  335. Avogadro 1.0

  336. Tech Fridays: The Web That Wasn't

  337. Chempedia: A Social Medium for Chemical Information

  338. Building Chempedia - Heroku Deployment First Impressions

  339. Tech Fridays: Galaxy Zoo

  340. The SMILES Antipattern

  341. The Future of Scientific Publication - Role Reversal Ahead

  342. Tech Fridays: Google Web Toolkit

  343. Building Chempedia: Deployment with Heroku and EC2

  344. Drug Discovery on the Web

  345. Last Chance to Win a ChemWriter Domain License

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

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

  348. Is the Electronic Laboratory Notebook Doomed?

  349. A RESTful Interface for Toxicity Prediction

  350. Tech Fridays: Google Chrome Frame

  351. Win a Free ChemWriter License for Your Site

  352. Reverse Auction for Specialty Chemicals

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

  354. Casual Saturdays: Optimistic Design

  355. Tech Fridays: PubSubHubbub

  356. Stereochemistry Puzzler: Answers

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

  358. Stereoisomer Generation

  359. Casual Saturdays: Extreme Testing

  360. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  366. Human Computing

  367. The RESTful Chemical Tracking System Part 2 - Resources

  368. The RESTful Chemical Tracking System Part 1 - Introduction

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

  370. Chemical Information and Marketing

  371. Molecular Modeling for Average Joes

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

  373. Casual Saturdays: Never Assume

  374. Linked Chemical Data @ Google TechTalks

  375. Graph Databases and Cheminformatics - Neo4j

  376. Chemcaster - The REST Web API for Cheminformatics

  377. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  379. MX-1.0 Beta 2

  380. Hashing and the Universal Molecular Identifier

  381. Always Be Testing: Using Mockito in MX

  382. Casual Saturdays: Bird's Eye

  383. Porting MX - CDK-Compatible VF Implementation

  384. Innovation: What Thinking Outside the Box Actually Means

  385. 3D Molecular Visualization with Avogadro

  386. Casual Saturdays - Turtles All The Way Down

  387. Open Source Cheminformatics Tools and Data

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

  389. Beginning of the End for ACS Journal Print Editions

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

  391. Nifty GitHub Features: Integrated Issue Tracking

  392. Casual Saturdays: Linked Data

  393. MX-1.0 Beta 1

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

  395. Small Libraries and GitHub: Applet-Fu

  396. On This Day In Organic Chemistry, 1874

  397. RESTful Substructure Search

  398. Painless Source Code Highlighting with Prettify

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

  400. Name That Graph

  401. Still More Free Chemistry Databases and Web Services

  402. Forking ONS Challenge Solubility Code on GitHub

  403. Downloadable eMolecules Datasets

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

  405. Casual Saturdays: Repurpose

  406. Updating Ruby CDK

  407. Science Doesn't Need Journals

  408. Building Chemistry Communities

  409. Learning from StackOverflow: Building Chemistry Communities

  410. Scientific Blogging - Ignore It and Be Ignored?

  411. Casual Saturdays: Correlation

  412. The First InChIKey Collision

  413. CouchDB for Chemistry

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

  415. Antisocial Journals

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

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

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

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

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

  421. ACS To Suspend Print Publication of All Journals

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

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

  424. Casual Saturdays: Building Blocks

  425. Cheminformatics, Crowds, and Cha-Ching

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

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

  428. Casual Saturdays: Twittervision

  429. What's Up With Chempedia?

  430. Sixty-Four Free Chemistry Databases

  431. Casual Saturdays: What's Phase 2?

  432. Interconvert Database Formats in Rails with YamlDB

  433. Substructure Search Idoms: Hydrogen Means Block Substitution

  434. The Bikeshed Effect

  435. $299 ChemWriter Domain Licenses During March

  436. Broken Business Models and Bailouts

  437. Cheminformatics and Micropublication in Chemistry

  438. What the Heck is RDF?

  439. What the Heck is the Semantic Web?

  440. Zusammen: The Other Half of the Story

  441. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  444. Casual Saturdays: Popular Belief

  445. Chemical Substructure Search in SQL

  446. Chemical Informatics Guys Don't Get It

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

  448. Web-Centric Science

  449. Scaling Up Scientific Conversation

  450. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  454. Casual Saturdays: Bobby Tables

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

  456. Open Benchmarks for Cheminformatics: Working with Japex

  457. Merb on JRuby

  458. Exhaustive Ring Perception With MX

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

  460. The Electronic Laboratory Notebook Trap

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

  462. Exhaustive Ring Perception

  463. Reading and Writing SD Files With MX

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

  465. Mr. InChI - Tear Down This Wall

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

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

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

  469. Open Benchmarks for Cheminformatics

  470. Choose Java for Speed

  471. Reading SMILES with MX

  472. Five Questions About the InChI Resolver

  473. Open Source Cheminformatics in Python with MX

  474. Flexible Depth-First Search With MX

  475. Goodbye Subversion, Hello Git and GitHub

  476. Getting Started with MX

  477. Casual Saturdays: Complexity

  478. ChemPhoto Beta-2

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

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

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

  482. One of These Things is Not Like The Others

  483. Casual Saturdays: Business Plan

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

  485. Billions and Billions

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

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

  488. ChemPhoto Beta-1 Now Available

  489. Flying Coach

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

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

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

  493. Casual Saturdays: Shoulders of Giants

  494. PubChem WTF #1

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

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

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

  498. Name That Graph

  499. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  503. What Good is a Scientific Blog?

  504. Casual Saturdays: Blind Trust

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

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

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

  508. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  510. Casual Saturdays: Balkanization

  511. Your Favorite Chemical Spreadsheet

  512. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  518. JavaScript for Cheminformatics - Using the Prototype Framework

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

  520. Encapsulated PostScript for Cheminformatics

  521. Casual Saturdays: There is No Shelf

  522. Grand Challenges in Cheminformatics

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

  524. Casual Saturdays: Mundaneum

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

  526. Validating CAS Numbers

  527. Vector Markup Language for Cheminformatics

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

  529. JavaScript for Cheminformatics

  530. Casual Saturdays: Kinetic Sculpture

  531. 3D Molecule Viewer on the iPhone

  532. Extending InChI Stereochemistry

  533. Scientific Commons: Cleaning Up Science's Basement

  534. Casual Saturdays: How Important is Science Education?

  535. Open Babel 2.2.0

  536. Building Chempedia: Learning About Contributors

  537. ChemWriter 1.3.1

  538. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  539. 3D Molecular Visualization on the Web: OpenAstexViewer

  540. Screencast: Drawing Structures Quickly With ChemWriter

  541. Better Structure Drawing With ChemWriter 1.3.0

  542. Casual Saturdays: A Thousand Years of Darkness

  543. Extreme Data Visualization

  544. Chemistry, The Web, and Netflix

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

  546. Casual Saturdays: Google AppEngine

  547. The Other Vector Graphics Markup Language

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

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

  550. A Simple and Portable Ruby Interface to InChI

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

  552. Small Molecule 3D Coordinates From PubChem

  553. Building Chempedia: Social Networking Applied to Chemistry

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

  555. Building Chempedia - Resizable Structures With ChemWriter

  556. Casual Saturdays: Thinking Inside the Box

  557. Building Chempedia: The Human Element

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

  559. Building Chempedia - Start Simple, Then Iterate

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

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

  562. 1908 and All That: The Long Tail and Chemistry

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

  564. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  565. Just a Flesh Wound

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

  567. Solve Web Application Scaling Problems With Signed Applets

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

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

  570. Building a Technology Company the Old-Fashioned Way

  571. Is reCAPTCHA Trying to Tell Me Something?

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

  573. Yet Another Free Chemistry Database: Pherobase

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

  575. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  577. Casual Saturdays: Periodicity is Just a Theory

  578. ACS Loses $27 Million Case Against Leadscope

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

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

  581. Open Access: Think Globally, Act Locally

  582. NIH Hears Publisher Feedback on Open Access Mandate

  583. Cheminformatics Puzzler #1

  584. Startup School 2008 at Stanford

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

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

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

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

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

  590. How Would Your Cheminformatics Tool Do This?

  591. Casual Saturdays: APOD

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

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

  594. Swing Sightings: SciFinder Web Version

  595. Casual Saturdays: Steampunk

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

  597. Testing Automatic Chemical Structure Recognition with OSRA

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

  599. How Would Your Cheminformatics Tool Do This?

  600. Raiding Chemistry's Data Tombs

  601. Casual Saturdays: Nano

  602. Hacking JSpecView - Enhancing the User Interface

  603. Molecule of the Day: Carminic Acid

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

  605. Filthy Rich Clients

  606. Hacking JSpecView - Creating an HTML Test Harness

  607. Casual Saturdays: Pareidolia

  608. How Would Your Cheminformatics Tool Do This?

  609. Swing Sightings: LigandScout

  610. Hacking JSpecView - Getting Organized with Ant

  611. An Introduction to JSpecView

  612. The New Scientific Publishers

  613. Casual Saturdays: Verge

  614. How Would Your Cheminformatics Tool Do This?

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

  616. Swing Sightings: Chenomx NMR Suite

  617. Science Blogging Anthology Now in Print

  618. ChemWriter Now Available for Download

  619. Casual Saturdays: Nanosolar

  620. My Favorite Eclipse Shortcut - Quick Fix

  621. How Would Your Cheminformatics Tool Do This?

  622. Subscribe to Depth-First by Email

  623. The Fundamental Cheminformatics Toolset

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

  625. A New Beginning or More of the Same?

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

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

  628. How Would Your Cheminformatics Tool Do This?

  629. Casual Saturdays: Entrepreneurship

  630. Security and the Online Chemical Catalog

  631. Simple 3D Conformer Generation with Smi23D

  632. How Would Your Cheminformatics Tool Do This?

  633. Run Babel Anywhere Java Runs with JBabel

  634. Casual Saturdays: Daybreak

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

  636. How Would Your Cheminformatics Tool Do This?

  637. Signal to Noise and the Chemistry Blog

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

  639. Casual Saturdays: Perspective

  640. How Would Your Cheminformatics Tool Do This?

  641. How Would Your Cheminformatics Tool Do This?

  642. SMILES and Aromaticity: Broken?

  643. ChemWriter, Chemical Structures, and the Web

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

  645. Casual Saturdays: Hackintosh

  646. How Would Your Cheminformatics Tool Do This?

  647. Simple Installation of Rubidium

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

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

  650. Casual Saturdays: Cynical Dreamer

  651. Why Web Development is Hard

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

  653. Making the Case: OpenSMILES

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

  655. Parsing SD Files with Ruby and Rubidium

  656. Casual Saturdays: How Television Works

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

  658. How Would Your Cheminformatics Tool Do This?

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

  660. Cheminformatics for Ruby - Getting Started with Rubidium

  661. How Would Your Cheminformatics Tool Do This?

  662. Casual Saturdays: Wikipedia in 2001

  663. Eolas and jActivating - Working Around a Workaround

  664. How Would Your Cheminformatics Tool Do This?

  665. JInChI - Run InChI Anywhere Java Runs

  666. How Would Your Cheminformatics Tool Do This?

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

  668. Casual Saturdays: The Four Elements

  669. Building Rubidium - Creating a RubyForge Project Space

  670. Casual Saturdays: Vishnu

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

  672. How Would Your Cheminformatics Tool Do This?

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

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

  675. Casual Saturdays: Argument Clinic

  676. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  677. How Would Your Cheminformatics Tool Do This?

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

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

  680. JRuby for Cheminformatics - Parsing SMILES Simply

  681. Five Reasons to Start Using JRuby Now

  682. Casual Saturdays: Truthiness

  683. What Makes Wikipedia Tick?

  684. Ruby CDK for Newbies

  685. Designing the Obvious: Permalinks and Paradigms

  686. Can Your Cheminformatics Tool Do This?

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

  688. Casual Saturdays: Wwwwwipeout

  689. Designing the Obvious

  690. InChI for Newbies

  691. PubChem for Newbies

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

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

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

  695. Taming the Wild Things

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

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

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

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

  700. Casual Saturdays: On Conformity

  701. Name That Graph

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

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

  704. OwnTerms: Legal Templates for the Rest of Us

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

  706. Casual Saturdays: Pretty Cool, Huh?

  707. Science Meets YouTube: Embedded JoVE Videos

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

  709. Name That Graph Revealed - Oligarchy 2.0

  710. Modern Approaches to Data Visualization

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

  712. Fighting Comment Spam on the Cheap with CAPTCHA

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

  714. Name That Graph

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

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

  717. ScienceHack: YouTube Meets Chemistry

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

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

  720. Five Ways to Use PubChem Right Now

  721. Googling for Molecules with InChIMatic and Firefly

  722. Java Interface to PubChem's Power User Gateway

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

  724. James Gosling Unplugged

  725. Ten Things That Surprised Me About Blogging

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

  727. Name That Graph

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

  729. The Best 55 Online Periodic Tables

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

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

  732. Conversations with James

  733. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  740. Waldorf Salad

  741. Yet Another Free Chemistry Database: Heterocycles Web Edition

  742. PubChem is a Platform

  743. Manage Your Bibliography with Firefox and Zotero

  744. Starting, Quitting, and Finishing

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

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

  747. Hacking CiteULike - Metascripting with Ruby and Session

  748. Open Notebook Science Using InChIMatic

  749. Everything is Miscellaneous

  750. We Don't Need No Stinkin' Copyright

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

  752. Buggotea: The Problem with Abundance

  753. Can Your Cheminformatics Tool Do This?

  754. Hacking PubChem - Learning to Speak PUG

  755. Hacking PubChem - Power User Gateway

  756. Open Access in Organic Chemistry

  757. RESTful Cheminformatics

  758. Just Say 'No' to Pentavalent Carbon

  759. Flex, Rich Internet Applications, and Cheminformatics

  760. Name That Graph

  761. Simple CAS Number Lookup with PubChem

  762. My InChI Runneth Over

  763. Interactive Ruby Open Babel

  764. Scientific Publication and the Seven Deadly Sins

  765. Hashing InChIs

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

  767. Update: InChI Canonicalization Algorithm

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

  769. Golden Rules for Open Source

  770. Strings and Things

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

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

  773. Self-Referential

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

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

  776. Roll Your Own Chemical Database With Free Components

  777. Structure Diagram Generation

  778. Painless Installation of Ruby Open Babel

  779. Can Your Cheminformatics Tool Do This?

  780. Creating Canonical SMILES with Ruby Open Babel

  781. The Aesthetics of Chemical Structure Diagrams

  782. Rethinking the Command Line for Chemistry

  783. Source Code, Science, and Advertising

  784. Why I Still Don't Use Connotea

  785. SciLink: Science Meets Facebook

  786. Customize InChI Output with Rino

  787. Software, Science, and Startups

  788. Do You Use the Command Line?

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

  790. From IUPAC Name to Molecular Formula with Ruby CDK

  791. Web 2.0 and Chemistry

  792. Yet Another Free Chemistry Database: FooDB

  793. Why the Web Isn't Ready for Chemistry

  794. Bountiful Quantities of Useless Features

  795. Bryan Vickery on What's Broken in Cheminformatics

  796. Googling for Molecules: New and Improved InChIMatic

  797. InChI Spam

  798. Making the Case - Flux-2

  799. The Power of Simple

  800. Octet Fundamentals - Immutable Molecules

  801. Google for Molecules with InChIMatic

  802. Twist and Shout

  803. Woz on Design and Constraints

  804. What's Broken in Cheminformatics?

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

  806. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  812. Thirty-Two Free Chemistry Databases

  813. Making the Case: Topological Maximum Cross Correlation

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

  815. Making the Case: Personal Chemistry Client

  816. Collective Intelligence and the Dumbness of Crowds

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

  818. The Scientific Debate: Digg Meets Science?

  819. ChemRefer: Free Direct Access to the Primary Literature

  820. Decoding InChIs: An Introduction to Ninja

  821. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  823. The Axial Chirality Problem

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

  825. Copyright 2.0 and Open Science

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

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

  828. Dispelling Open Source Confusion: An Introduction to Licenses

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

  830. The (Chemical Information) World is Flat

  831. Scaffolding

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

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

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

  835. Anatomy of a Cheminformatics Web Application: InChIMatic

  836. Making the Case: Similarity by Compression

  837. The Problem with Ferrocene

  838. Hacking Molbank: Creating a Graphical Table of Contents

  839. BioRails

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

  841. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  842. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  844. We Have Met the Enemy and He Is Us

  845. The Open Access Ecosystem

  846. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  847. Scripting Molecular Fingerprints with Ruby CDK

  848. Build a Rails Cheminformatics Application in Thirty Minutes

  849. Unchaining Chemistry from the Desktop

  850. Visualizing Cheminformatics Algorithms

  851. Electric Cars and Open Access

  852. Diversity-Oriented Chemical Informatics

  853. Eleven Free Cheminformatics Scripting Environments

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

  855. Name That Graph

  856. Look Ma, No Applets!

  857. Debabelization

  858. Twelve Free Chemistry Databases

  859. Stone Soup

  860. From SMILES to InChI with OBRuby

  861. Stone Knives and Bear Skins

  862. OBRuby: A Ruby Interface to Open Babel

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

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

  865. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  868. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  872. Compiling C to Java Bytecode

  873. Decoding IUPAC Names With OPSIN

  874. Making the Case

  875. Running Ruby Java Bridge on Windows

  876. Software That Just Works

  877. Hacking PubChem: Direct Access with FTP

  878. Hacking PubChem: Free Speech or Free Beer?

  879. Looking at InChIs

  880. CDK, the Ruby Way: RCDK-0.2.0

  881. Hacking PubChem: Entrez Programming Utilities

  882. Mashups for Fun and Profit

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

  884. Hacking PubChem: Query by SMILES

  885. Point and Shoot Chemical Informatics Software

  886. Decoding InChIs with Rino

  887. Toward an Open, Worldwide Chemical Information Network

  888. Taking a SWIG of InChI

  889. CDK, the Ruby Way

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

  891. Visualizing IUPAC Names with ChemNomParse

  892. Chemical Nomenclature Translation

  893. Generating and Serving 2-D Molecular SVGs

  894. Chemical Reviews on Wikipedia

  895. Rendering Molecules with SVG on the Web

  896. The Automatic Encoding of Chemical Structures

  897. Hacking NMRShiftDB

  898. Peculiarities of Chemical Information

  899. Humanizing Line Notations

  900. Hacking PubChem with Ruby

  901. Drawing 2-D Structures with Structure-CDK

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

  903. Scripting Java Libraries with Ruby Java Bridge

  904. Computational Perception and Recognition of Digitized Molecular Structures

  905. Scripting CDK with JRuby

  906. Scripting Octet with JRuby

  907. Readily Available, Without Infringements or Restrictions

  908. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

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

  911. History of Abstracting at Chemical Abstracts Service

  912. 107 Years of Line-Formula Notations (1861-1968)

  913. Ruby and InChI: The Rino Library

  914. Reading Behavior of Chemists

  915. ChemRuby First Look

  916. InChI Canonicalization Algorithm

  917. Changes