Showing results (1-10 of 58) with videos related to
Sort By:
Pageof 6
Journal of Cheminformatics|June 10, 2025
UMAP-based clustering split for rigorous evaluation of AI models for virtual screening on cancer cell linesQianrong Guo, Saiveth Hernandez-Hernandez, Pedro J BallesterBiology Methods & Protocols|November 6, 2024
Graph neural networks are promising for phenotypic virtual screening on cancer cell linesSachin Vishwakarma, Saiveth Hernandez-Hernandez, Pedro J BallesterExpert Opinion on Drug Discovery|September 24, 2024
Data-centric challenges with the application and adoption of artificial intelligence for drug discoveryGhita Ghislat, Saiveth Hernandez-Hernandez, Chayanit Piyawajanusorn, et al.Future Medicinal Chemistry|March 25, 2011
Ultrafast shape recognition: method and applicationsPedro J BallesterDrug Discovery Today. Technologies|January 2, 2021
Selecting machine-learning scoring functions for structure-based virtual screeningPedro J BallesterBriefings in Bioinformatics|June 23, 2020
The impact of compound library size on the performance of scoring functions for structure-based virtual screeningLouison Fresnais, Pedro J BallesterJournal of Computational Chemistry|March 8, 2007
Ultrafast shape recognition to search compound databases for similar molecular shapesPedro J Ballester, W Graham RichardsBiomolecules|March 29, 2023
On the Best Way to Cluster NCI-60 MoleculesSaiveth Hernández-Hernández, Pedro J BallesterCurrent Opinion in Chemical Biology|May 30, 2021
Recent progress on the prospective application of machine learning to structure-based virtual screeningGhita Ghislat, Taufiq Rahman, Pedro J BallesterPageof 6