Applications of Multidimensional Space of Mathematical Molecular Descriptors in Large-Scale Bioactivity and Toxicity Prediction- Applications to Prediction of Mutagenicity and Blood-Brain Barrier Entry of Chemicals

In this chapter, we review our QSAR research in the prediction of toxicities, bioactivities and properties of chemicals using computed mathematical descriptors. Robust statistical methods have been used to develop high quality predictive quantitative structure-activity relationship (QSAR) models for...

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Bibliographic Details
Published in:Croatica chemica acta 2020, Vol.93 (4), p.261
Main Authors: Basak, Subhash C., Majumdar, Subhabrata, Lungu, Claudiu
Format: Article
Language:English
Subjects:
Quantitative Structure-Activity Relationship (QSAR)
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Summary:In this chapter, we review our QSAR research in the prediction of toxicities, bioactivities and properties of chemicals using computed mathematical descriptors. Robust statistical methods have been used to develop high quality predictive quantitative structure-activity relationship (QSAR) models for the prediction of mutagenicity and BBB (blood-brain barrier) entry of two large and diverse sets chemicals. This work is licensed under a Creative Commons Attribution 4.0 International License .
ISSN:0011-1643
1334-417X
DOI:10.5562/cca3772