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Persistent URL http://purl.org/net/epubs/work/59545058
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Record Id 59545058
Title Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow
Contributors
Abstract
Organisation ISIS , ISIS-GEN , STFC , SCI-COMP
Keywords mathematical methods , molecular modeling , molecules , embedding , pharmaceuticals
Funding Information RAENG (RCSRF1819\7\10); RAL; ISIS Neutron and Muon Source
Related Research Object(s):
Licence Information: Creative Commons Attribution 4.0 International (CC BY 4.0)
Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article J Chem Inf Model 65, no. 1 (2024): 133-152. doi:10.1021/acs.jcim.4c01862 2024