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A Collection of Chemoinformatics Books
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The Cheminformatics Portal - Databases, Web Sources, and Books
Cheminformatics Databases and Web Sources
Category
Databases and Web Resources
Note
Web resources
Cheminformatics resources, links
Molinspiration cheminformatics
Pseudo-Rotational Online Service and Interactive Tool (PROSIT)
Pseudorotational analysis of nucleosides and nucleotides
NetSci
ChemWeb
Terminology
Chemoinformatics Glossary
Cambridge Structural Database System
ChemKey Search Database
Daylight Chemical Information Systems
JChem
Aimpac
Analysis of electron density
BatchMan
A batch manager
CACTVS
A client/server system for the chemical information
Calaco
A unit conversion tool
Chem2Pac
A computational chemistry integrator
Chemical Thesaurus
CLiDE
OCR of chemical structures
CLIFF
A chemical file format converter
Ciara
A reaction planning tool
The Linux for Chemistry cdrom project
For Linux systems
MOE
Molecular operating environment
MultiSimplex
Experimental design and optimization
Open Babel
File format conversions
PyQuante
For writing quantum chemistry software
SENECA
Computer Assisted Structure Elucidation (CASE) from NMR
Sprout
De novo ligan design
ArgusLab
CASTEP
COLUMBUS
CRUNCH
Aces-II
Dalton
deMon
GAMESS
GAUSSIAN-98
HyperChem
The Massively Parallel Quantum Chemistry Program (MPQP)
Molcas
Molpro
Q-Chem
Spartan
x2dhf
Computational Crystallography Toolbox
Crunch
Crystallography Source Code Museum
ADF
FHImd
Chemical Kinetics Simulator
CHEMKIN
Gepasi
Chemistry 4-D Draw
ChemWindow
COSMOtherm / COSMO-RS
DomainFinder
Escher NG
Ghemical
FANTOM
HINT
INTERCHEM
MODELLER european miiror
Molecular Modelling Toolkit (MMTK)
Molecular Workbench
Multimode
PROSPECT
PyMOL
RASSE
TINKER
VEGA
XLOGP
Atomsmith
Chime
ChemTK Lite
Cheminformatics toolkit for chemical screening data
Eadfrith
gOpenMol
JCAMP-DX Conversion Program
JChemPaint
Jmol
JMV
Marvin
Mercury
Crystal structure visualization
Mol2Mol
Molsee
Moviemol
ReView
VMD
ViewMol3D
XMakemol
Rasmol
MolMol
Astex Viewer
GROMACS
LAMMPS
SCARECROW
VASP
ARIA
