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cs.LG2024
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…
cs.LG2024★ 12 cited
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…