How can I predict toxicity in drug discovery?
The importance of predicting toxicity early in drug development Highlighting safety and toxicity early in the drug development process is…
Summary
In the field of computer-aided drug design, there are several logic fallacies around lines of research on methodology and validation. This article discusse these fallacies in the context of off-target predictive modeling, QSAR, molecular similarity computations, and docking, and shares practical examples which avoid these problems.
More publications to browse
Why don’t my QSAR models work?
Why QSAR models matter in drug discovery Before we start troubleshooting, let’s remember why we build and run these models…
Leveraging structure-based and ligand-based techniques in drug discovery
In our recent article in Innovations in Pharmaceutical Technology, we explore the principles, techniques, and applications of structure-based and ligand-based…
