Found: 12
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Bioisosteric Replacements Extracted from High‐Quality Structures in the Protein Databank.
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- ChemMedChem, 2018, v. 13, n. 6, p. 607, doi. 10.1002/cmdc.201700679
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- Article
Synthetically accessible de novo design using reaction vectors: Application to PARP1 inhibitors**.
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- Molecular Informatics, 2024, v. 43, n. 4, p. 1, doi. 10.1002/minf.202300183
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- Article
RENATE: A Pseudo‐retrosynthetic Tool for Synthetically Accessible de novo Design.
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- Molecular Informatics, 2022, v. 41, n. 4, p. 1, doi. 10.1002/minf.202100207
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- Article
Chemoinformatics at the University of Sheffield 2002-2014.
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- Molecular Informatics, 2015, v. 34, n. 9, p. 598, doi. 10.1002/minf.201500004
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- Article
Wavelet Approximation of GRID Fields: Application to Quantitative Structure-Activity Relationships.
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- Molecular Informatics, 2010, v. 29, n. 8/9, p. 603, doi. 10.1002/minf.201000066
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- Article
Toxicological knowledge discovery by mining emerging patterns from toxicity data.
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- Journal of Cheminformatics, 2013, v. 5, n. S1, p. 1, doi. 10.1186/1758-2946-5-S1-O9
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- Article
Effect of missing data on multitask prediction methods.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0281-z
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- Article
Enhancing reaction-based de novo design using a multi-label reaction class recommender.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 7, p. 783, doi. 10.1007/s10822-020-00300-6
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- Article
Incorporating partial matches within multiobjective pharmacophore identification.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 12, p. 735, doi. 10.1007/s10822-006-9086-7
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- Article
Diversity selection algorithms.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 4, p. 580, doi. 10.1002/wcms.33
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- Article
Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance.
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- Statistical Analysis & Data Mining, 2009, v. 2, n. 2, p. 103, doi. 10.1002/sam.10037
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- Article
Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction.
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- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00611-w
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- Article