Fingerprint and descriptor generation-GenerateMD
@inproceedings{2018FingerprintAD,
title={Fingerprint and descriptor generation-GenerateMD},
author={},
year={2018}
}Introduction Molecular descriptors Molecular descriptor sets Generating descriptors Storing descriptors in database Usage Commands Options Input Output Descriptors Chemical fingerprint Reaction fingerprint PF: 2-dimensional pharmacophore fingerprint Fuzzy pharmacophore fingerprint Burden eigenvalue descriptors Scalar descriptors File output Database output Statistics Configuration Files Chemical fingerprints Example 2-d pharmacophore fingerprints Example BCUT descriptors Example Examples… CONTINUE READING
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