MOLECULAR MODELING IN COMPOUNDS SERIES WITH DESCRIPTORS FAMILIES

Journal: Analele Universitatii din Oradea.Fascicula Chimie (Vol.23, No. 1)

Publication Date: 2016-12-15

Authors : Lorentz JÄNTSCHI Sorana D. BOLBOACĂ;

Page : 5-14

Keywords : Descriptors families; FPIF (fragmental property index family); MDF (molecular descriptors family); MDFV (molecular descriptors family - vertex); SAPF (structural atomic property family); SMPI (Szeged matrix property indices).;

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Abstract

A series of families of molecular descriptors were designed and used to relate the structural information with measured properties and activities for different series of chemical compounds. Here are revised the methodology for the calculation of the molecular descriptors with FPIF, MDF, MDFV, SAPF and SMPI families.

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MOLECULAR MODELING IN COMPOUNDS SERIES WITH DESCRIPTORS FAMILIES

Abstract

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