Novel Approaches In Predicting Chemical Toxicity Using Computational Methods

Novel Approaches in Predicting Chemical Toxicity Using Computational Methods

New Horizons in Predictive Toxicology

The sophistication of modelling and simulation technologies have improved dramatically over the past decade and their applications in toxicity prediction and risk assessment are of critical importance. The integration of predictive toxicology approaches will become increasingly necessary as industrial chemicals advance and as new pharmaceuticals enter the market. In this comprehensive discussion of predictive toxicology and its applications, leading experts express their views on the technologies currently available and the potential for future developments. The book covers a wide range of topics including in silico, in vitro and in vivo approaches that are being used in the safety assessment of chemical substances. It reflects the growing and urgent need to strengthen and improve our ability to predict the safety and risks posed by industrial and pharmaceutical chemicals in humans. The reader will find extensive information on the use of current animal models used for various toxicities and target mediated toxicities. Also discussed are the recent regulatory initiatives to improve the safety assessment of chemicals. The book provides an expert and comprehensive discussion on the current status and future directions of predictive toxicology and its application. The various chapters in the book also reflect the growing need for improvements in our technologies and abilities to predict toxicities of pharmaceutical and industrial chemicals to ensure product safety and protect public health.

Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology

Computational Methods in Medicinal Chemistry, Pharmacology, and Toxicology is a comprehensive resource that offers an advanced overview of computational techniques employed in drug discovery, design, and toxicity prediction. The book discusses various topics, including molecular modeling, virtual screening, machine learning, and network pharmacology. It serves as an essential guide for researchers, practitioners, and students in pharmacology, toxicology, medicinal chemistry, bioinformatics, and systems biology fields, showcasing practical applications and future perspectives on new technologies. In addition to covering computational approaches, the book provides real-world examples of drug discovery, candidate optimization, and safety assessment.Other sections explore computer applications in pharmacology and toxicology and discusses the importance of these methods in advancing medicinal research. - Offers comprehensive coverage of computational methods that are relevant to pharmacology and toxicology, including molecular modeling, virtual screening, machine learning, and network pharmacology - Includes practical examples and case studies that demonstrate how these methods can be applied in drug discovery, design, and toxicity prediction - Discusses emerging trends and future directions in the field of computational pharmacology and toxicology that can help readers stay up-to-date with the latest advances and anticipate future developments