Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Filters
Results by year
Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
---|---|
2020 | 1 |
2023 | 2 |
2024 | 0 |
Search Results
3 results
Results by year
Filters applied: . Clear all
Page 1
Exploring the ability of machine learning-based virtual screening models to identify the functional groups responsible for binding.
J Cheminform. 2023 Sep 19;15(1):84. doi: 10.1186/s13321-023-00755-3.
J Cheminform. 2023.
PMID: 37726844
Free PMC article.
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening.
Scantlebury J, Vost L, Carbery A, Hadfield TE, Turnbull OM, Brown N, Chenthamarakshan V, Das P, Grosjean H, von Delft F, Deane CM.
Scantlebury J, et al.
J Chem Inf Model. 2023 May 22;63(10):2960-2974. doi: 10.1021/acs.jcim.3c00322. Epub 2023 May 11.
J Chem Inf Model. 2023.
PMID: 37166179
Free PMC article.
Item in Clipboard
Data Set Augmentation Allows Deep Learning-Based Virtual Screening to Better Generalize to Unseen Target Classes and Highlight Important Binding Interactions.
Scantlebury J, Brown N, Von Delft F, Deane CM.
Scantlebury J, et al.
J Chem Inf Model. 2020 Aug 24;60(8):3722-3730. doi: 10.1021/acs.jcim.0c00263. Epub 2020 Aug 4.
J Chem Inf Model. 2020.
PMID: 32701288
Free PMC article.
Item in Clipboard
Cite
Cite