C&EN4d
Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow
Cavendish Laboratory, Department of Physics, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, U.K. ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Harwell Science ...
Frontiers4d
Machine learning and molecular docking prediction of potential inhibitors against dengue virus
Method: Utilizing a dataset of 21,250 bioactive compounds from PubChem (AID: 651640), alongside a total of 1,444 descriptors generated using PaDEL, we trained various models such as Support Vector ...