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New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching.

, , , , , , and . Journal of Chemical Information and Modeling, 46 (2): 462-470 (2006)

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Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence., , , , and . PRIB, volume 5780 of Lecture Notes in Computer Science, page 404-414. Springer, (2009)Quantifying the Relationships among Drug Classes., , , , and . Journal of Chemical Information and Modeling, 48 (4): 755-765 (2008)New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching., , , , , , and . Journal of Chemical Information and Modeling, 46 (2): 462-470 (2006)Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures., , , , , , and . Journal of Chemical Information and Modeling, 44 (3): 1177-1185 (2004)The Playbooks of Medicinal Chemistry Design Moves., , , , and . J. Chem. Inf. Model., 61 (2): 729-742 (2021)Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules., , , and . Journal of Chemical Information and Modeling, 56 (1): 1-5 (2016)Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance., , , , , , , and . Stat. Anal. Data Min., 2 (2): 103-114 (2009)mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets., , and . J. Chem. Inf. Model., 58 (5): 902-910 (2018)Predicting new molecular targets for known drugs, , , , , , , , , and 7 other author(s). Nature, 462 (7270): 175--181 (Nov 12, 2009)