molproperty | index /home/orient/pydpi/drug/molproperty.py |
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Calculation of Molecular physical/chemical properties based on some special
type of approaches(6), including: LogP; LogP2; MR; TPSA, UI and Hy.You can
freely use and distribute it. If you hava any problem, you could contact
with us timely!
Authors: Dongsheng Cao and Yizeng Liang.
Date: 2012.09.18
Email: oriental-cds@163.com
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MolecularProperty = {'Hy': <function CalculateHydrophilicityFactor>, 'LogP': <function CalculateMolLogP>, 'LogP2': <function CalculateMolLogP2>, 'MR': <function CalculateMolMR>, 'TPSA': <function CalculateTPSA>, 'UI': <function CalculateUnsaturationIndex>} Version = 1.0 |