383 citations · 976 across the 8 of their papers we have counts for
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math.OC2021★ 47 cited
Golem: An algorithm for robust experiment and process optimization
Matteo Aldeghi, Florian Häse, Riley J. Hickman +2
Numerous challenges in science and engineering can be framed as optimization tasks, including the maximization of reaction yields, the optimization of molecular and materials prope…
cs.LG2021
Assigning Confidence to Molecular Property Prediction
AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley +6
Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design. Recentl…