Diversity-property derived

A, J S Mason and I M McLay 1997. Similarity Measures for Rational Set Selection and Analysis lombinatorial Libraries The Diverse Property-Derived (DPD) Approach. Journal of Chemical irtnation and Computer Science 37 599-614. 

Lewis RA, Mason JS, McLay, IM. Similarity measures for rational set selection and analysis of combinatorial libraries The diverse property-derived (DPD) approach. J Chem Inf Comput Sci 1997 37 599-614. 

The Diverse Property-Derived method (DPD method) is based on the partitioning of six noncorrelated molecular descriptors and physico-chemical properties [Ashton, Jaye et al, 1996]. These are a lipophilicity descriptor (CLOGP), an electrotopological index calculated as normalized sum of the squares of the atomic electrotopological state indices, the number of hydrogen-bond acceptors (HBA), the number of hydrogen-bond donors (HBD), a flexibility index defined as the ratio of the —> Kier shape descriptors over k, and the aromatic density defined as the number of aromatic rings over the molecular volume (Table Cl). 

Diverse Property-Derived method cell-based methods... 

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