Tag: Drug Discovery AI
Generative AI for small molecule design, AlphaFold in drug pipelines, ADMET prediction
-
Generative AI for Small Molecule Drug Discovery: How It Works and What the Evidence Shows
Generative AI is producing novel molecules from VAEs, GANs, and diffusion models. Machine learning virtual screening shows 75% hit validation rates against 106M-compound libraries. Why no AI-designed drug…
-
AI-Driven ADMET Prediction: What the Blind Challenge Results Actually Show
Deep learning beat classical methods for ADME prediction in a 65-team blind challenge at the 2025 OpenADMET competition. An AI-PBPK platform predicted full human pharmacokinetic curves from molecular…
-
AlphaFold 3 in Drug Discovery: Where It Works and Where It Fails
AlphaFold 3 predicts protein backbones well but fails significantly on ligand-binding poses in GPCR drug targets, which represent 33% of approved drugs. Five PubMed-sourced studies covering what works,…
You must be logged in to post a comment.