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q-bio.QM2024
Drug Discovery SMILES-to-Pharmacokinetics Diffusion Models with Deep Molecular Understanding
Bing Hu, Anita Layton, Helen Chen
Artificial intelligence (AI) is increasingly used in every stage of drug development. One challenge facing drug discovery AI is that drug pharmacokinetic (PK) datasets are often co…
cs.LG2024★ 2 cited
Synthetic Data from Diffusion Models Improve Drug Discovery Prediction
Bing Hu, Ashish Saragadam, Anita Layton +1
Artificial intelligence (AI) is increasingly used in every stage of drug development. Continuing breakthroughs in AI-based methods for drug discovery require the creation, improvem…