Diagnosing and fixing common problems in Bayesian optimization for molecule design

11 June 2024

Papers citing "Diagnosing and fixing common problems in Bayesian optimization for molecule design"

2 / 2 papers shown

Title
Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space AkshatKumar Nigam Pascal Friederich Mario Krenn Alán Aspuru-Guzik AI4CE 35 131 0 25 Sep 2019
Molecular De Novo Design through Deep Reinforcement Learning Marcus Olivecrona T. Blaschke Ola Engkvist Hongming Chen BDL 92 1,003 0 25 Apr 2017