10 citations · 21 across the 10 of their papers we have counts for
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cs.LG2024★ 6 cited
Batched Bayesian optimization by maximizing the probability of including the optimum
Jenna Fromer, Runzhong Wang, Mrunali Manjrekar +3
Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategie…
cs.AI2024★ 3 cited
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
Kevin Yu, Jihye Roh, Ziang Li +3
Computer-aided synthesis planning (CASP) algorithms have demonstrated expert-level abilities in planning retrosynthetic routes to molecules of low to moderate complexity. However,…