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Topomol: Molecular Descriptor Calculator
Topomol can calculate a number of descriptors from compound
structures. This module can calculate about 130 molecular descriptors
including constitutional, topological, physico-chemical and
geometrical descriptors, which are useful for ADME/Tox. prediction
of compounds. This module is appropriate for library design
because of quick calculation of many compounds at one time.
PreADME: Prediction of Drug-like Molecules
http://preadme.bmdrc.org
The PreADME is the most outstanding and practical guidance
for your early drug discovery. Our PreADME is composed of three
programs, namely "Molecular Descriptors Calculation",
"Drug-Likeness Prediction", and "Absorption Prediction".
Please visit our PreADME
for more information.
Organic Chemical Database
http://chemdb.kisti.re.kr
This chemical database contains about 2,000,000 compounds including
2D/3D chemical structures and various physico-chemical properties
of them. The simple search like text search and 2D/3D similarity
search are prepared for the drug design. Please visit our Organic
Chemical Database for more information.
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