In Silico Methods for Predicting Drug Toxicity, edited by Emilio Benfenati1 addresses new in silico methodologies, their integrated use, and regulatory implications for the assessment of pharmaceuticals. The second edition contains both updated and new chapters, reflecting advancements in computational toxicology. Each chapter covers specific areas such as the use of modeling a pharmaceutical in the body (physiologically based pharmacokinetic (PBPK) models), in silico models for specific endpoints, platforms for evaluating pharmaceuticals and scientific and societal challenges.
Our contribution to this effort describes the implementation of in silico toxicology protocols within Leadscope platforms. Here we present the fundamental principles governing the review of in silico predictions, assignment of reliability, relevance and confidence. Case studies were used to demonstrate the tools which facilitate a systematic review of integrated data streams in a reproducible and transparent manner.
We congratulate Emilio for this incredible compilation of resources. If you would like additional information please contact me at candice.johnson@instem.com.