AI for targeted polypharmacology: The next frontier in drug discovery

A Cichońska, B Ravikumar, R Rahman - Current Opinion in Structural …, 2024 - Elsevier
In drug discovery, targeted polypharmacology, ie, targeting multiple molecular targets with a
single drug, is redefining therapeutic design to address complex diseases. Pre-selected …

Leveraging multiple data types for improved compound-kinase bioactivity prediction

R Theisen, T Wang, B Ravikumar, R Rahman… - Nature …, 2024 - nature.com
Abstract Machine learning provides efficient ways to map compound-kinase interactions.
However, diverse bioactivity data types, including single-dose and multi-dose-response …