A small step toward generalizability: training a machine learning scoring function for structure-based virtual screening

Նմանատիպ նյութեր

• Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
  ‌: Hadfield, TE, և այլն
  Հրապարակվել է: (2023)
• Data set augmentation allows deep learning-based virtual screening to better generalize to unseen target classes and highlight important binding interactions
  ‌: Scantlebury, J, և այլն
  Հրապարակվել է: (2020)
• Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding
  ‌: Thomas E. Hadfield, և այլն
  Հրապարակվել է: (2023-09-01)
• Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures
  ‌: Carbery, A, և այլն
  Հրապարակվել է: (2024)
• Fragment libraries designed to be functionally diverse recover protein binding information more efficiently than standard structurally diverse libraries
  ‌: Carbery, A, և այլն
  Հրապարակվել է: (2022)