Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Patrick Walters

Showing results (41-50 of 66) with videos related to

Pageof 7
Sort By:
Journal of Cheminformatics|October 14, 2025
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial librariesHongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
Nature Materials|April 20, 2019
Opportunities and challenges using artificial intelligence in ADME/ToxBarun Bhhatarai, W Patrick Walters, Cornelis E C A Hop, et al.
Journal of Chemical Information and Modeling|August 26, 2016
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand SimilarityYu-Chen Chen, Robert Tolbert, Alex M Aronov, et al.
Journal of Medicinal Chemistry|July 9, 2020
Artificial Intelligence in Drug Discovery: Into the Great Wide OpenJürgen Bajorath, Steven Kearnes, W Patrick Walters, et al.
Communications Chemistry|February 3, 2024
Exploring the combinatorial explosion of amine-acid reaction space via graph editingRui Zhang, Babak Mahjour, Andrew Outlaw, et al.
Nucleic Acids Research|November 22, 2024
BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding dataTiqing Liu, Linda Hwang, Stephen K Burley, et al.
Nature Communications|May 25, 2026
Mapping the avoid-ome: a systematic open-science approach to predictive ADMETJames S Fraser, Steven Edgar, L Naomi Handly, et al.
F1000Research|September 21, 2017
Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malariaSereina Riniker, Gregory A Landrum, Floriane Montanari, et al.
Journal of Chemical Information and Modeling|February 14, 2025
The Need for Continuing Blinded Pose- and Activity Prediction BenchmarksChristian Kramer, John Chodera, Kelly L Damm-Ganamet, et al.
Journal of Chemical Information and Modeling|September 11, 2025
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug DiscoveryJeremy R Ash, Cas Wognum, Raquel Rodríguez-Pérez, et al.
Pageof 7

Showing results (41-50 of 66) with videos related to

Sort By:
Pageof 7
Journal of Cheminformatics|October 14, 2025
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial librariesHongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
Nature Materials|April 20, 2019
Opportunities and challenges using artificial intelligence in ADME/ToxBarun Bhhatarai, W Patrick Walters, Cornelis E C A Hop, et al.
Journal of Chemical Information and Modeling|August 26, 2016
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand SimilarityYu-Chen Chen, Robert Tolbert, Alex M Aronov, et al.
Journal of Medicinal Chemistry|July 9, 2020
Artificial Intelligence in Drug Discovery: Into the Great Wide OpenJürgen Bajorath, Steven Kearnes, W Patrick Walters, et al.
Communications Chemistry|February 3, 2024
Exploring the combinatorial explosion of amine-acid reaction space via graph editingRui Zhang, Babak Mahjour, Andrew Outlaw, et al.
Nucleic Acids Research|November 22, 2024
BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding dataTiqing Liu, Linda Hwang, Stephen K Burley, et al.
Nature Communications|May 25, 2026
Mapping the avoid-ome: a systematic open-science approach to predictive ADMETJames S Fraser, Steven Edgar, L Naomi Handly, et al.
F1000Research|September 21, 2017
Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malariaSereina Riniker, Gregory A Landrum, Floriane Montanari, et al.
Journal of Chemical Information and Modeling|February 14, 2025
The Need for Continuing Blinded Pose- and Activity Prediction BenchmarksChristian Kramer, John Chodera, Kelly L Damm-Ganamet, et al.
Journal of Chemical Information and Modeling|September 11, 2025
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug DiscoveryJeremy R Ash, Cas Wognum, Raquel Rodríguez-Pérez, et al.
Pageof 7