Artifacts using CDK Fingerprint (18)
1. Ambit2 Core25 usages
ambit » ambit2-coreLGPL
AMBIT 2 core functionality
Last Release on Nov 13, 2012
MolWitch implementation that uses CDK as the underlying cheminformatics framework.
Last Release on Apr 17, 2025
Descriptors: pKA, functional groups, moleucle size, crossectional diameter, maximum diameter, molecular weight, spherosity, atom environment
CDK descriptors, listed at http://qsar.sourceforge.net/dicts/qsar-descriptors/index.xhtml are available via ambit2-core package.
Last Release on Nov 13, 2012