The field of pharmacophore modeling has steadily emerged as a cornerstone in the rational design of kinase inhibitors. By abstracting the essential molecular features required for optimal binding to ...

Cellarity, a biotechnology company developing cell state-correcting therapies through integrated multi-omics and AI modeling, ...

A researcher has proposed a more targeted approach to AI drug discovery, which includes a rigorous evaluation protocol.

The drug development pipeline is a costly and lengthy process. Identifying high-quality "hit" compounds-those with high potency, selectivity, and favorable metabolic properties-at the earliest stages ...

Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...