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如下：

1: Chemene Cheminformatics Technologies – Blog

2: Chemene JSDraw – A Javascript Chemical Structure Editor/Viewer

3: Creating a web-based, searchable molecular structure database using free software

4: eMolecules.com | Chemical Structure Drawing Search

5: Index of /pch/download/chemistry

6: JME Usage

7: mol2ps Homepage

8: MolDB5 documentation

9: NMRShiftDB – open nmr database on the web

10: Online SMILES Translator

11: Thirty-Two Free Chemistry Databases

12: 化学中的常用计算机软件与资源 化学化工 博研联盟 – Powered by VeryCMS

13: ChemAxon chemistry software toolkit free academic java .net Marvin JChem

14: http://www.cbs.cnrs.fr/GIFA/

15: Mestrelab Research S.L. – Home

16: Base Peak – Mass Spectrometry Software

17: 量子化学网

18: OpenMS / TOPP website

19: LC-MSsim : a simulator for Liquid Chromatography – Mass Spectrometry data

20: 中药化合物数据库

21: Spectral Database for Organic Compounds,SDBS

22: ScreeningAssistant : select compounds for screening tests

23: Journal of Natural Products (ACS Publications and Am. Soc. of Pharmacognosy)

24: The Dundee PRODRG Server

25: Chemoinformatics and Metabolism Team | Publications | EBI

26: NMRShiftDB – open nmr database on the web

27: Bioclipse Documentation

28: DTP / 2D and 3D Structural Information

29: services:dbfetch | EBI Web Services | EBI

30: Hacking NMRShiftDB

31: The PubChem Project

32: scripps.edu

33: eMolecules.com | Chemical Structure Drawing Search

34: Molecular Information Theory and the Theory of Molecular Machines

35: SMILES – 维基百科，自由的百科全书

36: Open Babel

37: Jmol.js JavaScript Library

38: Writings by Andrew Dalke

39: GIF/PNG-Creator for 2D Plots of Chemical Structures

40: CORINA – Generation of 3D coordinates | Inspiring Chemical Discovery

41: NSC: Chemistry: Dalton

42: ZINC – A free database for virtual screening – version 8

43: Daylight Theory: SMILES

44: TORVS Research Team >> Services

45: ChIN目录页:化学软件

46: RasMol and OpenRasMol

47: FIZ Karlsruhe: Home

48: SENECA | Get SENECA at SourceForge.net

49: SourceForge.net Repository – [seneca] Index of /

50: Noel O'Blog: Cheminformatics toolkit face-off: Speed (Python vs Java vs C++)

51: cinfony – Project Hosting on Google Code

52: Using OpenBabel from Python – Open Babel

53: SteinBlog — A molecular informatics weblog

54: InstallationOnLinux – cinfony – This page describes how to install cinfony 0.9.x on Linux – Project Hosting on Google Code

55: Chemistry + python – SWiK

56: Dalke Scientific: Python Training for Cheminformatics

57: The Molecular Modelling Toolkit — Molecular Modelling Toolkit

58: frowns.sourceforge.net

59: PyMOL Molecular Viewer – Home Page

60: PyMol Tutorial

61: Molsoft L.L.C.: MolCart

62: http://www.hellers.com/steve/resume/p122.html

63: Fast Substructure Search Using Open Source Tools Part 1: Fingerprints and Databases

64: Creating a web-based, searchable molecular structure database using free software

65: Molecular fingerprints, background

66: Daylight Theory: Fingerprints

67: Checkmol/Matchmol Homepage

68: ChemHack » Hacking the chemistry world.

69: cdkjython

70: Cheminformatics 101 | What is Cheminformatics?

71: Faster fingerprint substructure tests

Chemistry Chemistry