[Published online Journal of Computer Chemistry, Japan Vol.16, 38-41, by J-STAGE]
<Title:> Use of Mathematical Chemodescriptors and Biodescriptors for New Drug Discovery, Environmental Protection, and Surveillance of Emerging Global Pathogens
<Author(s):> Subhash C. BASAK
<Corresponding author E-Mill:> sbasak(at)nrri.umn.edu
<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.
<Keywords:> Mathematical chemodescriptors, Biodescriptors, New drug discovery, Environmental protection, Emerging global pathogens, Graph invariants, Topological index, Quantitative structure-activity/property relationship (QSAR/QSPR)
<URL:> https://www.jstage.jst.go.jp/article/jccj/16/2/16_2017-0020/_article/-char/ja/
<Title:> Use of Mathematical Chemodescriptors and Biodescriptors for New Drug Discovery, Environmental Protection, and Surveillance of Emerging Global Pathogens
<Author(s):> Subhash C. BASAK
<Corresponding author E-Mill:> sbasak(at)nrri.umn.edu
<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.
<Keywords:> Mathematical chemodescriptors, Biodescriptors, New drug discovery, Environmental protection, Emerging global pathogens, Graph invariants, Topological index, Quantitative structure-activity/property relationship (QSAR/QSPR)
<URL:> https://www.jstage.jst.go.jp/article/jccj/16/2/16_2017-0020/_article/-char/ja/
