Assessment of the classification abilities of the CNS multi-parametric optimization approach by the method of logistic regression.

Abstract

Assessment of "CNS drugs/CNS candidates" classification abilities of the multi-parametric optimization (CNS MPO) approach was performed by logistic regression. It was found that the five out of the six separately used physical-chemical properties (topological polar surface area, number of hydrogen-bonded donor atoms, basicity, lipophilicity of compound in… (More)
DOI: 10.1080/1062936X.2016.1212922

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