Ntie F. Chemoinformatics of Natural Products Vol 2. Advanced Concepts...2022

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Ntie F. Chemoinformatics of Natural Products Vol 2. Advanced Concepts...2022

Textbook in PDF format Vol. 2 of Chemoinformatics of Natural Products introduces the reader to the currently available tools for toxicity prediction, drug property prediction, an enumeration of compounds, scaffolds and functional groups in nature, computational methods for lead identification, metabolite biosynthesis, etc. Selected case studies and hands-on tutorial exercises have been included. Tools for toxicity prediction and drug property prediction. An enumeration of compounds. scaffolds and functional groups in nature Computational methods for lead identification. Metabolite biosynthesis, etc. Includes case studies and tutorials. An enumeration of natural products from microbial, marine and terrestrial sources A chemoinformatic analysis of atoms, scaffolds and functional groups in natural products Chemical similarity methods for analyzing secondary metabolite structures Fragment-based drug design of nature-inspired compounds Prediction of modes of action of components of traditional medicinal preparations Mechanistic role of plant-based bitter principles and bitterness prediction for natural product studies I: Database and methods Mechanistic role of plant-based bitter principles and bitterness prediction for natural product studies II: prediction tools and case studies Toxicity of secondary metabolites Rational engineering of specialized metabolites in bacteria and fungi Epigenetic modification, co-culture and genomic methods for natural product discovery Case studies on computer-based identification of natural products as lead molecules A computer-based approach for developing linamarase inhibitory agents Searching natural product databases From genes to secondary metabolites