Fourth generation detour matrix-based topological descriptors for QSAR/QSPR - Part-2: application in development of models for prediction of biological activity

Abstract

Augmented path eccentric connectivity topochemical indices (reported in part-1 of the manuscript) along with 42 diverse non-correlating molecular descriptors (shortlisted from a large pool of 2D and 3D MDs) were successfully utilised for the development of models through decision tree, random forest and moving average analysis for the prediction of… (More)
DOI: 10.1504/IJCBDD.2014.058583

Topics

12 Figures and Tables