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 …

Six interesting abstracts from ASCO GI 2019

I saw a billboard for a Very Well Known cancer drug on US101 today and realized that ASCO’s Gastrointestinal Cancers Symposium (aka ASCO GI) was in town. Although I’m not currently working on CRC screening, it’s an interesting enough area for me to have spent a couple …

Diving into CellMax’s data from ASCO GI 2018 on colorectal cancer detection by CTCs

While writing my post about ASCO GI 2019 (in particular, the section on CellMax’s new abstract), I realized that to tell the story properly, I had to analyze last year’s CellMax data. That turned into enough content that I thought it would be best to split it into …

Sherlock Holmes and the Adventure of Mr. Lockhart’s AI

Machine learning and computational modeling remain some of the hottest topics in both the academic and industrial biology and healthcare communities. Here I’ll take a closer look at some problems with how we conceive of the use of AI and machine learning in biology, and how shifting our mode …