Computational Toxicology: Methods and Protocols 2nd Edition

This second edition explores new and updated techniques used to understand solid target-specific models in computational toxicology. Chapters are divided into four sections, detailing molecular descriptors, QSAR and read-across, molecular and data modeling techniques, computational toxicology in drug discovery, molecular fingerprints, AI techniques, and safe drug design. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls.

Authoritative and cutting-edge, Computational Toxicology: Methods and Protocols, Second Edition aims to ensure successful results in the further study of this vital field.

Description

Computational Toxicology: Methods and Protocols (Methods in Molecular Biology Book 2834) 2nd Edition

by: Orazio Nicolotti (Editor)

Four Main Sections:

Molecular Descriptors: Introduction to molecular descriptors and their role in computational toxicology.
QSAR and Read-Across: Discusses quantitative structure-activity relationships (QSAR) and read-across techniques for predicting chemical toxicity.
Molecular and Data Modeling Techniques: Covers various modeling strategies, including statistical and machine learning methods, to predict and assess toxicological risk.
Computational Toxicology in Drug Discovery: Focuses on the application of computational techniques in drug development, highlighting their importance in identifying safe and effective drug candidates.

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