Archive

  1. Running the RDKit Postgres Cartridge with Docker

  2. The Trouble with Hückel

  3. Writing Aromatic SMILES

  4. Delocalization-Induced Molecular Equality

  5. Molecular Assembly Index

  6. Standard InChI

  7. Of Zero-Order Bonds and Bonding Systems

  8. InChI Syntax

  9. An Introduction to the ChemDraw CDXML Format

  10. Running InChI Anywhere with WebAssembly

  11. Parsing InChI: It's Complicated

  12. Purr: A SMILES Toolkit for Rust

  13. Fast Hydrogen Counting in SMILES

  14. Benchmarking Iteration from a Rust Trait

  15. Matched Molecular Pairs

  16. SMILES Formal Grammar Revisited

  17. Abstract Syntax Trees for SMILES

  18. A Workbench for Machine Learning in Chemistry

  19. SMILES Reading Performance: RDKit vs ChemCore

  20. Start Seeing Valence and Core Electrons

  21. Running a SMILES Validation Benchmark

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

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

  24. Getting Started with DeepChem

  25. Saying No to Browser UI Frameworks

  26. A Smallest Set of Smallest Rings

  27. SMILES Validation in the Browser

  28. Getting Started with RDKit and Jupyter

  29. Python Extensions in Pure Rust with PyO3

  30. Wrapping Rust Types as Python Classes

  31. A Guide to Molecular Standardization

  32. Reading Large SDfiles in Rust

  33. The SDfile Format

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

  35. Compiling Rust to WebAssembly: A Simple Example

  36. Returning Rust Iterators

  37. OxMol: Rust/Python Bindings for ChemCore

  38. Hydrogen Suppression in SMILES

  39. ChemCore: A Cheminformatics Toolkit for Rust

  40. Let's Build a SMILES Parser in Rust

  41. Hydrogen Suppression in Cheminformatics

  42. Cheminformatics in Rust: Implementing a Minimal Molecule API

  43. Stereochemistry and Atom Parity in SMILES

  44. Multi-Atom Bonding in Cheminformatics

  45. SMILES Formal Grammar

  46. Hydrogen Suppression in Molfiles

  47. A Minimal Molecule API

  48. COVID MoonShot

  49. Azithromycin and COVID-19

  50. Formal Charge and Bond Order are Side Effects

  51. A Brief Introduction to Graph Convolutional Networks

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

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

  54. Graphs in Rust: Introducing Gamma

  55. A Comprehensive Treatment of Aromaticity in the SMILES Language

  56. Graphs in Rust: An Introduction to Petgraph

  57. Rust Ownership by Example

  58. Rust for Cheminformatics

  59. First Steps in WebAssembly: Hello World

  60. A Minimal Graph API

  61. Virtual Hydrogens

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

  63. Security Theater and the Blockchain Project

  64. Compiling InChI to WebAssembly Part 1: Hello InChI

  65. JavaScript for Cheminformatics, Part 2

  66. The SMILES Substructure Search Fallacy

  67. The Maximum Matching Problem

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

  69. Class-Free Object-Oriented Programming

  70. The Language of Organic Chemistry

  71. Distributed Chemistry

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

  73. The NextMove Patent Reaction Dataset

  74. Scanner-Driven Parser Development

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

  76. Computing Extended Connectivity Fingerprints

  77. The Horrifying Future of Scientific Communication

  78. Planes, Trains, and Organic Syntheses

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

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

  81. A Second Failed Test of ACS Articles on Request

  82. Chemical Structure Copy and Paste Problems

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

  84. Solving Organic Chemistry's Oldest Problem

  85. Evernote as an Electronic Lab Notebook (ELN)

  86. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  89. Copyright for Chemists

  90. Anonymous Science and the Survival of BlogSyn

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

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

  93. Reshoring Pharma Jobs

  94. Ambassador for Chemistry?

  95. How to Get a Job Like Mine

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

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

  98. Two Windows are Better Than One

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

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

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

  102. Why Organic Chemistry is Like Facebook

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

  104. Why ACS Must Come Clean on Journal Publication Costs

  105. Education of a Scientist

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

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

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

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

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

  111. Understanding the PyMOL User Interface

  112. Install PyMOL on Mac OS X Snow Leopard

  113. Install PyMOL on Windows

  114. Install PyMOL on Ubuntu Linux

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

  116. An Introduction to Foldit

  117. Easily Install PyMOL on Mac OSX

  118. How to Validate CAS Registry Numbers in JavaScript

  119. Display Inline SVG Using the <img> Tag

  120. Similarity-Potency Trees

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

  122. Shoreline: A Google Closure Project Template

  123. Sixty-Four Free Chemistry Databases

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

  125. Learn WebGL by Building a 3D Molecule Viewer

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

  127. Changes

  128. Drugable.com: Web Software for Drug Discovery

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

  130. Standardization in Lab Automation: The SiLA Consortium

  131. Really Drug-Like Molecules

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

  133. Jmol Without Applets Using Websockets

  134. PicoSpin and the Incredible Shrinking Lab

  135. WebGL and What It Means for Chemistry

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

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

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

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

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

  141. Name That Graph

  142. Just Add Points?

  143. The Mysterious Google Chrome SVG Bug Revisited

  144. 200 Countries and 200 Years in 4 Minutes

  145. The Mysterious Google Chrome SVG Bug

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

  147. Atom Labels Now Available in ChemWriter 2

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

  149. Inkspot Science - Pipeline Pilot for the Cloud?

  150. Google Closure - Building Complex Applications with JavaScript

  151. Building ChemWriter 2 - Pivotal Tracker for Project Management

  152. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  153. Jeux Sans Frontieres

  154. ChemWriter 2 Preview

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

  156. The ACS Versus Leadscope Case

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

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

  159. Predicting Synthetic Accessibility

  160. Name That Graph

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

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

  163. The FDA Unique Ingredient Identifier (UNII)

  164. A Lightweight and Portable Java Interface to InChI

  165. Freeform Natural Laws from Experimental Data

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

  167. Poster at the CDD Community Meeting

  168. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  170. Software Downsizing

  171. Node.js

  172. A Brief Introduction to Lawson Numbers

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

  174. Reading and Translating ChemDraw CDX Files with OpenBabel

  175. A Brief Introduction to the ChemDraw CDX File Format

  176. Scrum in Under Ten Minutes

  177. The Graph Traversal Programming Pattern

  178. Goodbye Paper, Hello Mendeley

  179. NoSQL is Web Scale [NSFW]

  180. Google Does a Spinning Molecule Thingie

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

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

  183. Visual Representation of Query Structures

  184. Whyday and Putting Away Your Best Practices

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

  186. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  188. Building ChemWriter 2 - JavaScript All the Way Down

  189. Mirroring PubChem the Easy Way with PubChem Fu

  190. Rational, Self-Maximizing Actors

  191. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  195. Latest CTFile Formats Specification Available Now from Symyx

  196. 1981 Time Capsule: The Future of Newspaper Publication

  197. The Avalanche of Low-Quality Research?

  198. What About Chempedia?

  199. HTML 5, Mobile Devices, and Chemistry

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

  201. Chemical Inventory Systems: Cheminformatics' Problem Child?

  202. Gigabytes of Chemical Information - Now Free for Download

  203. Chemistry Has a Long Tail - Deal With It

  204. How To Kill the DOI System

  205. Two Chemistry Apps for Mobile Devices

  206. Cheminformatics in JavaScript: JChemHub

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

  208. Awesome People: Andrew Warner

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

  210. Wise People

  211. Practical Chemistry on the Web

  212. The Scientist's Dilemma

  213. Wiley DOI Fail

  214. Wanted: A Few Good Chemists

  215. InChI 1.03 Prerelease

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

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

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

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

  220. Chempedia at the Spring ACS

  221. Jeux Sans Frontieres

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

  223. Smaller, Cheaper, More Powerful

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

  225. Why is Chempedia Lab Failing?

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

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

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

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

  230. Quote of the Week: Print References

  231. Everything Old is New Again: WLN in PubChem

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

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

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

  235. PubCouch: Create Your Own Custom PubChem Subset

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

  237. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  238. PubCouch: A CouchDB Interface to PubChem

  239. The Future of PyMOL

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

  241. StructureDB - A Profiling Session

  242. Talking About Chempedia and the Future of Scientific Communication

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

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

  245. Pinpoint Performance Problems with Google Speed Tracer

  246. JavaScript Survival: Screw.Unit

  247. Casting a Wide Net in Cheminformatics

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

  249. Chempedia Data Downloads: Free as in Free

  250. A Clean, Well-Lit Place for Spectra

  251. Warren DeLano

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

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

  254. Chempedia Launch Day Wrapup

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

  256. Building Chempedia: Heroku, DNS, and Propagation

  257. Welcome to Chempedia!

  258. Avogadro 1.0

  259. Tech Fridays: The Web That Wasn't

  260. Chempedia: A Social Medium for Chemical Information

  261. Building Chempedia - Heroku Deployment First Impressions

  262. Tech Fridays: Galaxy Zoo

  263. The SMILES Antipattern

  264. The Future of Scientific Publication - Role Reversal Ahead

  265. Tech Fridays: Google Web Toolkit

  266. Building Chempedia: Deployment with Heroku and EC2

  267. Drug Discovery on the Web

  268. Last Chance to Win a ChemWriter Domain License

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

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

  271. Is the Electronic Laboratory Notebook Doomed?

  272. A RESTful Interface for Toxicity Prediction

  273. Tech Fridays: Google Chrome Frame

  274. Win a Free ChemWriter License for Your Site

  275. Reverse Auction for Specialty Chemicals

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

  277. Casual Saturdays: Optimistic Design

  278. Tech Fridays: PubSubHubbub

  279. Stereochemistry Puzzler: Answers

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

  281. Stereoisomer Generation

  282. Casual Saturdays: Extreme Testing

  283. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  289. Human Computing

  290. The RESTful Chemical Tracking System Part 2 - Resources

  291. The RESTful Chemical Tracking System Part 1 - Introduction

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

  293. Chemical Information and Marketing

  294. Molecular Modeling for Average Joes

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

  296. Casual Saturdays: Never Assume

  297. Linked Chemical Data @ Google TechTalks

  298. Graph Databases and Cheminformatics - Neo4j

  299. Chemcaster - The REST Web API for Cheminformatics

  300. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  302. MX-1.0 Beta 2

  303. Hashing and the Universal Molecular Identifier

  304. Always Be Testing: Using Mockito in MX

  305. Casual Saturdays: Bird's Eye

  306. Porting MX - CDK-Compatible VF Implementation

  307. Innovation: What Thinking Outside the Box Actually Means

  308. 3D Molecular Visualization with Avogadro

  309. Casual Saturdays - Turtles All The Way Down

  310. Open Source Cheminformatics Tools and Data

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

  312. Beginning of the End for ACS Journal Print Editions

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

  314. Nifty GitHub Features: Integrated Issue Tracking

  315. Casual Saturdays: Linked Data

  316. MX-1.0 Beta 1

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

  318. Small Libraries and GitHub: Applet-Fu

  319. On This Day In Organic Chemistry, 1874

  320. RESTful Substructure Search

  321. Painless Source Code Highlighting with Prettify

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

  323. Name That Graph

  324. Still More Free Chemistry Databases and Web Services

  325. Forking ONS Challenge Solubility Code on GitHub

  326. Downloadable eMolecules Datasets

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

  328. Casual Saturdays: Repurpose

  329. Updating Ruby CDK

  330. Science Doesn't Need Journals

  331. Building Chemistry Communities

  332. Learning from StackOverflow: Building Chemistry Communities

  333. Scientific Blogging - Ignore It and Be Ignored?

  334. Casual Saturdays: Correlation

  335. The First InChIKey Collision

  336. CouchDB for Chemistry

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

  338. Antisocial Journals

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

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

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

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

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

  344. ACS To Suspend Print Publication of All Journals

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

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

  347. Casual Saturdays: Building Blocks

  348. Cheminformatics, Crowds, and Cha-Ching

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

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

  351. Casual Saturdays: Twittervision

  352. What's Up With Chempedia?

  353. Sixty-Four Free Chemistry Databases

  354. Casual Saturdays: What's Phase 2?

  355. Interconvert Database Formats in Rails with YamlDB

  356. Substructure Search Idoms: Hydrogen Means Block Substitution

  357. The Bikeshed Effect

  358. $299 ChemWriter Domain Licenses During March

  359. Broken Business Models and Bailouts

  360. Cheminformatics and Micropublication in Chemistry

  361. What the Heck is RDF?

  362. What the Heck is the Semantic Web?

  363. Zusammen: The Other Half of the Story

  364. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  367. Casual Saturdays: Popular Belief

  368. Chemical Substructure Search in SQL

  369. Chemical Informatics Guys Don't Get It

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

  371. Web-Centric Science

  372. Scaling Up Scientific Conversation

  373. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  377. Casual Saturdays: Bobby Tables

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

  379. Open Benchmarks for Cheminformatics: Working with Japex

  380. Merb on JRuby

  381. Exhaustive Ring Perception With MX

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

  383. The Electronic Laboratory Notebook Trap

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

  385. Exhaustive Ring Perception

  386. Reading and Writing SD Files With MX

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

  388. Mr. InChI - Tear Down This Wall

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

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

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

  392. Open Benchmarks for Cheminformatics

  393. Choose Java for Speed

  394. Reading SMILES with MX

  395. Five Questions About the InChI Resolver

  396. Open Source Cheminformatics in Python with MX

  397. Flexible Depth-First Search With MX

  398. Goodbye Subversion, Hello Git and GitHub

  399. Getting Started with MX

  400. Casual Saturdays: Complexity

  401. ChemPhoto Beta-2

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

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

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

  405. One of These Things is Not Like The Others

  406. Casual Saturdays: Business Plan

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

  408. Billions and Billions

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

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

  411. ChemPhoto Beta-1 Now Available

  412. Flying Coach

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

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

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

  416. Casual Saturdays: Shoulders of Giants

  417. PubChem WTF #1

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

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

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

  421. Name That Graph

  422. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  426. What Good is a Scientific Blog?

  427. Casual Saturdays: Blind Trust

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

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

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

  431. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  433. Casual Saturdays: Balkanization

  434. Your Favorite Chemical Spreadsheet

  435. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  441. JavaScript for Cheminformatics - Using the Prototype Framework

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

  443. Encapsulated PostScript for Cheminformatics

  444. Casual Saturdays: There is No Shelf

  445. Grand Challenges in Cheminformatics

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

  447. Casual Saturdays: Mundaneum

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

  449. Validating CAS Numbers

  450. Vector Markup Language for Cheminformatics

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

  452. JavaScript for Cheminformatics

  453. Casual Saturdays: Kinetic Sculpture

  454. 3D Molecule Viewer on the iPhone

  455. Extending InChI Stereochemistry

  456. Scientific Commons: Cleaning Up Science's Basement

  457. Casual Saturdays: How Important is Science Education?

  458. Open Babel 2.2.0

  459. Building Chempedia: Learning About Contributors

  460. ChemWriter 1.3.1

  461. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  462. 3D Molecular Visualization on the Web: OpenAstexViewer

  463. Screencast: Drawing Structures Quickly With ChemWriter

  464. Better Structure Drawing With ChemWriter 1.3.0

  465. Casual Saturdays: A Thousand Years of Darkness

  466. Extreme Data Visualization

  467. Chemistry, The Web, and Netflix

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

  469. Casual Saturdays: Google AppEngine

  470. The Other Vector Graphics Markup Language

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

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

  473. A Simple and Portable Ruby Interface to InChI

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

  475. Small Molecule 3D Coordinates From PubChem

  476. Building Chempedia: Social Networking Applied to Chemistry

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

  478. Building Chempedia - Resizable Structures With ChemWriter

  479. Casual Saturdays: Thinking Inside the Box

  480. Building Chempedia: The Human Element

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

  482. Building Chempedia - Start Simple, Then Iterate

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

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

  485. 1908 and All That: The Long Tail and Chemistry

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

  487. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  488. Just a Flesh Wound

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

  490. Solve Web Application Scaling Problems With Signed Applets

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

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

  493. Building a Technology Company the Old-Fashioned Way

  494. Is reCAPTCHA Trying to Tell Me Something?

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

  496. Yet Another Free Chemistry Database: Pherobase

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

  498. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  500. Casual Saturdays: Periodicity is Just a Theory

  501. ACS Loses $27 Million Case Against Leadscope

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

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

  504. Open Access: Think Globally, Act Locally

  505. NIH Hears Publisher Feedback on Open Access Mandate

  506. Cheminformatics Puzzler #1

  507. Startup School 2008 at Stanford

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

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

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

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

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

  513. How Would Your Cheminformatics Tool Do This?

  514. Casual Saturdays: APOD

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

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

  517. Swing Sightings: SciFinder Web Version

  518. Casual Saturdays: Steampunk

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

  520. Testing Automatic Chemical Structure Recognition with OSRA

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

  522. How Would Your Cheminformatics Tool Do This?

  523. Raiding Chemistry's Data Tombs

  524. Casual Saturdays: Nano

  525. Hacking JSpecView - Enhancing the User Interface

  526. Molecule of the Day: Carminic Acid

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

  528. Filthy Rich Clients

  529. Hacking JSpecView - Creating an HTML Test Harness

  530. Casual Saturdays: Pareidolia

  531. How Would Your Cheminformatics Tool Do This?

  532. Swing Sightings: LigandScout

  533. Hacking JSpecView - Getting Organized with Ant

  534. An Introduction to JSpecView

  535. The New Scientific Publishers

  536. Casual Saturdays: Verge

  537. How Would Your Cheminformatics Tool Do This?

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

  539. Swing Sightings: Chenomx NMR Suite

  540. Science Blogging Anthology Now in Print

  541. ChemWriter Now Available for Download

  542. Casual Saturdays: Nanosolar

  543. My Favorite Eclipse Shortcut - Quick Fix

  544. How Would Your Cheminformatics Tool Do This?

  545. Subscribe to Depth-First by Email

  546. The Fundamental Cheminformatics Toolset

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

  548. A New Beginning or More of the Same?

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

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

  551. How Would Your Cheminformatics Tool Do This?

  552. Casual Saturdays: Entrepreneurship

  553. Security and the Online Chemical Catalog

  554. Simple 3D Conformer Generation with Smi23D

  555. How Would Your Cheminformatics Tool Do This?

  556. Run Babel Anywhere Java Runs with JBabel

  557. Casual Saturdays: Daybreak

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

  559. How Would Your Cheminformatics Tool Do This?

  560. Signal to Noise and the Chemistry Blog

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

  562. Casual Saturdays: Perspective

  563. How Would Your Cheminformatics Tool Do This?

  564. How Would Your Cheminformatics Tool Do This?

  565. SMILES and Aromaticity: Broken?

  566. ChemWriter, Chemical Structures, and the Web

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

  568. Casual Saturdays: Hackintosh

  569. How Would Your Cheminformatics Tool Do This?

  570. Simple Installation of Rubidium

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

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

  573. Casual Saturdays: Cynical Dreamer

  574. Why Web Development is Hard

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

  576. Making the Case: OpenSMILES

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

  578. Parsing SD Files with Ruby and Rubidium

  579. Casual Saturdays: How Television Works

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

  581. How Would Your Cheminformatics Tool Do This?

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

  583. Cheminformatics for Ruby - Getting Started with Rubidium

  584. How Would Your Cheminformatics Tool Do This?

  585. Casual Saturdays: Wikipedia in 2001

  586. Eolas and jActivating - Working Around a Workaround

  587. How Would Your Cheminformatics Tool Do This?

  588. JInChI - Run InChI Anywhere Java Runs

  589. How Would Your Cheminformatics Tool Do This?

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

  591. Casual Saturdays: The Four Elements

  592. Building Rubidium - Creating a RubyForge Project Space

  593. Casual Saturdays: Vishnu

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

  595. How Would Your Cheminformatics Tool Do This?

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

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

  598. Casual Saturdays: Argument Clinic

  599. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  600. How Would Your Cheminformatics Tool Do This?

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

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

  603. JRuby for Cheminformatics - Parsing SMILES Simply

  604. Five Reasons to Start Using JRuby Now

  605. Casual Saturdays: Truthiness

  606. What Makes Wikipedia Tick?

  607. Ruby CDK for Newbies

  608. Designing the Obvious: Permalinks and Paradigms

  609. Can Your Cheminformatics Tool Do This?

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

  611. Casual Saturdays: Wwwwwipeout

  612. Designing the Obvious

  613. InChI for Newbies

  614. PubChem for Newbies

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

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

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

  618. Taming the Wild Things

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

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

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

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

  623. Casual Saturdays: On Conformity

  624. Name That Graph

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

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

  627. OwnTerms: Legal Templates for the Rest of Us

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

  629. Casual Saturdays: Pretty Cool, Huh?

  630. Science Meets YouTube: Embedded JoVE Videos

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

  632. Name That Graph Revealed - Oligarchy 2.0

  633. Modern Approaches to Data Visualization

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

  635. Fighting Comment Spam on the Cheap with CAPTCHA

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

  637. Name That Graph

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

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

  640. ScienceHack: YouTube Meets Chemistry

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

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

  643. Five Ways to Use PubChem Right Now

  644. Googling for Molecules with InChIMatic and Firefly

  645. Java Interface to PubChem's Power User Gateway

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

  647. James Gosling Unplugged

  648. Ten Things That Surprised Me About Blogging

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

  650. Name That Graph

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

  652. The Best 55 Online Periodic Tables

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

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

  655. Conversations with James

  656. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  663. Waldorf Salad

  664. Yet Another Free Chemistry Database: Heterocycles Web Edition

  665. PubChem is a Platform

  666. Manage Your Bibliography with Firefox and Zotero

  667. Starting, Quitting, and Finishing

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

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

  670. Hacking CiteULike - Metascripting with Ruby and Session

  671. Open Notebook Science Using InChIMatic

  672. Everything is Miscellaneous

  673. We Don't Need No Stinkin' Copyright

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

  675. Buggotea: The Problem with Abundance

  676. Can Your Cheminformatics Tool Do This?

  677. Hacking PubChem - Learning to Speak PUG

  678. Hacking PubChem - Power User Gateway

  679. Open Access in Organic Chemistry

  680. RESTful Cheminformatics

  681. Just Say 'No' to Pentavalent Carbon

  682. Flex, Rich Internet Applications, and Cheminformatics

  683. Name That Graph

  684. Simple CAS Number Lookup with PubChem

  685. My InChI Runneth Over

  686. Interactive Ruby Open Babel

  687. Scientific Publication and the Seven Deadly Sins

  688. Hashing InChIs

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

  690. Update: InChI Canonicalization Algorithm

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

  692. Golden Rules for Open Source

  693. Strings and Things

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

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

  696. Self-Referential

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

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

  699. Roll Your Own Chemical Database With Free Components

  700. Structure Diagram Generation

  701. Painless Installation of Ruby Open Babel

  702. Can Your Cheminformatics Tool Do This?

  703. Creating Canonical SMILES with Ruby Open Babel

  704. The Aesthetics of Chemical Structure Diagrams

  705. Rethinking the Command Line for Chemistry

  706. Source Code, Science, and Advertising

  707. Why I Still Don't Use Connotea

  708. SciLink: Science Meets Facebook

  709. Customize InChI Output with Rino

  710. Software, Science, and Startups

  711. Do You Use the Command Line?

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

  713. From IUPAC Name to Molecular Formula with Ruby CDK

  714. Web 2.0 and Chemistry

  715. Yet Another Free Chemistry Database: FooDB

  716. Why the Web Isn't Ready for Chemistry

  717. Bountiful Quantities of Useless Features

  718. Bryan Vickery on What's Broken in Cheminformatics

  719. Googling for Molecules: New and Improved InChIMatic

  720. InChI Spam

  721. Making the Case - Flux-2

  722. The Power of Simple

  723. Octet Fundamentals - Immutable Molecules

  724. Google for Molecules with InChIMatic

  725. Twist and Shout

  726. Woz on Design and Constraints

  727. What's Broken in Cheminformatics?

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

  729. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  735. Thirty-Two Free Chemistry Databases

  736. Making the Case: Topological Maximum Cross Correlation

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

  738. Making the Case: Personal Chemistry Client

  739. Collective Intelligence and the Dumbness of Crowds

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

  741. The Scientific Debate: Digg Meets Science?

  742. ChemRefer: Free Direct Access to the Primary Literature

  743. Decoding InChIs: An Introduction to Ninja

  744. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  746. The Axial Chirality Problem

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

  748. Copyright 2.0 and Open Science

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

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

  751. Dispelling Open Source Confusion: An Introduction to Licenses

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

  753. The (Chemical Information) World is Flat

  754. Scaffolding

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

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

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

  758. Anatomy of a Cheminformatics Web Application: InChIMatic

  759. Making the Case: Similarity by Compression

  760. The Problem with Ferrocene

  761. Hacking Molbank: Creating a Graphical Table of Contents

  762. BioRails

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

  764. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  765. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  767. We Have Met the Enemy and He Is Us

  768. The Open Access Ecosystem

  769. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  770. Scripting Molecular Fingerprints with Ruby CDK

  771. Build a Rails Cheminformatics Application in Thirty Minutes

  772. Unchaining Chemistry from the Desktop

  773. Visualizing Cheminformatics Algorithms

  774. Electric Cars and Open Access

  775. Diversity-Oriented Chemical Informatics

  776. Eleven Free Cheminformatics Scripting Environments

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

  778. Name That Graph

  779. Look Ma, No Applets!

  780. Debabelization

  781. Twelve Free Chemistry Databases

  782. Stone Soup

  783. From SMILES to InChI with OBRuby

  784. Stone Knives and Bear Skins

  785. OBRuby: A Ruby Interface to Open Babel

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

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

  788. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  791. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  795. Compiling C to Java Bytecode

  796. Decoding IUPAC Names With OPSIN

  797. Making the Case

  798. Running Ruby Java Bridge on Windows

  799. Software That Just Works

  800. Hacking PubChem: Direct Access with FTP

  801. Hacking PubChem: Free Speech or Free Beer?

  802. Looking at InChIs

  803. CDK, the Ruby Way: RCDK-0.2.0

  804. Hacking PubChem: Entrez Programming Utilities

  805. Mashups for Fun and Profit

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

  807. Hacking PubChem: Query by SMILES

  808. Point and Shoot Chemical Informatics Software

  809. Decoding InChIs with Rino

  810. Toward an Open, Worldwide Chemical Information Network

  811. Taking a SWIG of InChI

  812. CDK, the Ruby Way

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

  814. Visualizing IUPAC Names with ChemNomParse

  815. Chemical Nomenclature Translation

  816. Generating and Serving 2-D Molecular SVGs

  817. Chemical Reviews on Wikipedia

  818. Rendering Molecules with SVG on the Web

  819. The Automatic Encoding of Chemical Structures

  820. Hacking NMRShiftDB

  821. Peculiarities of Chemical Information

  822. Humanizing Line Notations

  823. Hacking PubChem with Ruby

  824. Drawing 2-D Structures with Structure-CDK

  825. Scripting Java Libraries with Ruby Java Bridge

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

  827. Computational Perception and Recognition of Digitized Molecular Structures

  828. Scripting CDK with JRuby

  829. Readily Available, Without Infringements or Restrictions

  830. Scripting Octet with JRuby

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

  832. Opportunities for Alternative Suppliers of Secondary Chemical Information

  833. History of Abstracting at Chemical Abstracts Service

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

  835. 107 Years of Line-Formula Notations (1861-1968)

  836. Ruby and InChI: The Rino Library

  837. Reading Behavior of Chemists

  838. ChemRuby First Look

  839. InChI Canonicalization Algorithm

  840. Changes