1 citations · 2 across the 2 of their papers we have counts for
2 papers
cs.LG2025★ 1 cited
Active Learning on Synthons for Molecular Design
Tom George Grigg, Mason Burlage, Oliver Brook Scott +3
Exhaustive virtual screening is highly informative but often intractable against the expensive objective functions involved in modern drug discovery. This problem is exacerbated in…
q-bio.BM2024★ 1 cited
Leap: molecular synthesisability scoring with intermediates
Antonia Calvi, Théophile Gaudin, Dominik Miketa +2
Assessing whether a molecule can be synthesised is a primary task in drug discovery. It enables computational chemists to filter for viable compounds or bias molecular generative m…