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DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.
Miguel García-Ortegón
Gregor N. C. Simm
Austin J. Tripp
José Miguel Hernández-Lobato
Andreas Bender
Sergio Bacallado
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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case study
computer aided
three dimensional
power consumption
neural network
machine learning
information retrieval
engineering design
design methodology