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AI in Drug Discovery Glossary, 2020 Edition

The following was submitted to the Journal of Medicinal Chemistry as a mini-perspective for their special issue on AI in drug discovery. I leave it to the reader to judge whether they were right to reject it forthwith.

The breadth of the field of artificial intelligence (AI) in drug discovery …

Three Principles for AI/ML in Drug Discovery

(See the slides here)

I was recently invited by OpenEye Scientific to speak at their 19th CUP meeting - a scientific conference focused on challenges of computational modeling in drug discovery. It was my first time back at CUP in 8 years, since I switched fields from computational chemistry into computational …

The Drug Discovery Checklist

Drug discovery is a hard business, and like any other hard business, there are a lot of people who’d not only like to improve it, but think they have a clever idea to completely change how it’s done and catapult us into a new world of productivity. It …