4 papers
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…
Pathology-Guided Virtual Staining Metric for Evaluation and Training
Qiankai Wang, James E. D. Tweel, Parsin Haji Reza +1
Virtual staining has emerged as a powerful alternative to traditional histopathological staining techniques, enabling rapid, reagent-free image transformations. However, existing e…
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…
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…