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q-bio.QM2025
Domain Knowledge Infused Conditional Generative Models for Accelerating Drug Discovery
Bing Hu, Jong-Hoon Park, Helen Chen +2
The role of Artificial Intelligence (AI) is growing in every stage of drug development. Nevertheless, a major challenge in drug discovery AI remains: Drug pharmacokinetic (PK) and…
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…