Use of Mathematical Chemodescriptors and Biodescriptors for New Drug Discovery, Environmental Protection, and Surveillance of Emerging Global Pathogens

Abstract

This article reviews results of research on the development of graph theoretical chemodescriptors, topological indices in particular, and proteomics as well as DNA/RNA sequence based biodescriptors and their applications in predicting property/bioactivity of chemicals as well as viruses. Use of biodescriptors in the characterization of emerging pathogens like the Zika virus (ZIKV) has been discussed. The use of proper statistical methods in model building is emphasized with special reference to research carried out by the author of this review.