Free tools
OpenBabel
An open source chemical toolkit branching off old OpenEye OELib
OpenBabel main page
JOELib
A GNU chemical toolkit library written in Java that can be used to calculate molecular descriptors (among other things). This is a redesign and Java adaptation of the initial OpenEye OELib.
JOELib home page
JOELib at sourceforge.net
OpenEye OELib
An open source library from OpenEye written
in C++. This project is no more maintained by OpenEye.
See "Other" at the bottom of the download page
Commercial tools for combinatorial library design
Elsevier MDL
MDL Central Library
Available Chemical Directory (ACD)
Accelrys
Cerius2
Chemicals Available for Purchase (CAP)
OpenEye
Free academic licensing is available.
OEChem: a Cheminformatics toolkit
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