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A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier
(Frontiers Media, 2021-07-01)
Abstract
The development of computational models for assessing the transfer of chemicals across the placental membrane would be of the utmost importance in drug discovery campaigns, in order to develop safe therapeutic ...
Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds
(Royal Society of Chemistry, 2021-11)
Abstract
The use of high-throughput docking (HTD) in the drug discovery pipeline is today widely established. In spite of methodological improvements in docking accuracy (pose prediction), scoring power, ranking power, ...