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Found 2 papers, 1 papers with code
TF3P: Three-dimensional Force Fields Fingerprint Learned by Deep Capsular Network
Molecular fingerprints are the workhorse in ligand-based drug discovery.
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning
Furthermore, the generated compounds were evaluated by molecular docking in DRD2 targets and the results demonstrated that this approach can be effectively applied to solve several drug design problems, including the generation of compounds containing a given scaffold and de novo drug design of potential drug candidates with specific docking scores.
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