Accelerating the future of drug discovery

A multiscale molecular dynamics study reveals how wild-type and mutant KIT receptors dimerize, providing the first atomistic model of a clinically relevant oncogenic mutant and opening new opportunities for therapeutic intervention.

MetabolEx combines curated metabolic reaction rules with machine-learning prioritization to make metabolite prediction more focused, interpretable, and actionable in early drug discovery.

ProfhEX is a large-scale, ML-powered platform that predicts bioactivity across nearly 700 human targets, enabling early identification of off-target risks, polypharmacology profiles, and drug repurposing opportunities to support safer, more effective drug discovery