In Silico Insider

Information for Computational Toxicologists

Welcome to In Silico Insider, a bi-weekly info-Blog that you’ll surely want to bookmark.

We invite you to step inside our online community, where our subject matter experts will share important insights about key issues facing our industry. From regulatory updates to industry innovations and scientific best practice, we hope this becomes a regular destination for you.

Improving the prediction of bioactivation in relation to drug-drug interactions using proprietary data

The bioactivation of drugs may result in the generation of reactive metabolites that irreversibly inactivate cytochrome P450 (requiring synthesis of new enzyme for recovery of activity). This process is referred to as mechanism-based inhibition (MBI) or time-dependent inhibition and is often involved in damaging drug-drug interactions (DDIs). Within the FDA guidance “In Vitro Drug Interaction …

In silico toxicology project 2021 review

The in silico toxicology project objective is to support the acceptance and implementation of in silico toxicology through working groups and publications covering: (1) protocols, (2) position papers, (3) case studies, (4) fit-for-purpose evaluations, and (5) structure-activity relationships. As we look back at 2021, it’s been another great year of progress. So far this year, …

New posters and papers

We recently published a blog describing four new publications.1 Since this post, we have received news that 2 more papers, submitted earlier this year to the Journal of Computational Toxicology, have been published: Evaluating Confidence in Toxicity Assessments Based on Experimental Data and In Silico Predictions2 Reliability, relevance, and confidence are defined within the context …