5 citations · 5 across the 2 of their papers we have counts for
3 papers · 1 filter
Virtual Cells: Predict, Explain, Discover
Emmanuel Noutahi, Jason Hartford, Prudencio Tossou +12
Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from computational models that can reliably simu…
Efficient Biological Data Acquisition through Inference Set Design
Ihor Neporozhnii, Julien Roy, Emmanuel Bengio +1
In drug discovery, highly automated high-throughput laboratories are used to screen a large number of compounds in search of effective drugs. These experiments are expensive, so on…
SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints
Miruna Cretu, Charles Harris, Ilia Igashov +6
Generative models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular motifs, they often produce synthetically…