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FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology.

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Title: FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology.
Authors: Burger PB; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States., Hu X; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States., Balabin I; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States., Muller M; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States., Stanley M; Microsoft Research AI4Science, 21 Station Road, Cambridge CB1 2FB, U.K., Joubert F; Centre for Bioinformatics and Computational Biology, Department of Biochemistry, Genetics and Microbiology, University of Pretoria, Pretoria 0001, South Africa., Kaiser TM; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 May 13; Vol. 64 (9), pp. 3812-3825. Date of Electronic Publication: 2024 Apr 23.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology.
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  Data: <searchLink fieldCode="AU" term="%22Burger+PB%22">Burger PB</searchLink>; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States.<br /><searchLink fieldCode="AU" term="%22Hu+X%22">Hu X</searchLink>; Schrödinger, Inc., 120 West 45th Street, New York, New York 10036, United States.<br /><searchLink fieldCode="AU" term="%22Balabin+I%22">Balabin I</searchLink>; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States.<br /><searchLink fieldCode="AU" term="%22Muller+M%22">Muller M</searchLink>; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States.<br /><searchLink fieldCode="AU" term="%22Stanley+M%22">Stanley M</searchLink>; Microsoft Research AI4Science, 21 Station Road, Cambridge CB1 2FB, U.K.<br /><searchLink fieldCode="AU" term="%22Joubert+F%22">Joubert F</searchLink>; Centre for Bioinformatics and Computational Biology, Department of Biochemistry, Genetics and Microbiology, University of Pretoria, Pretoria 0001, South Africa.<br /><searchLink fieldCode="AU" term="%22Kaiser+TM%22">Kaiser TM</searchLink>; Avicenna Biosciences Inc., 101 W. Chapel Hill Street, Suite 210, Durham, North Carolina 27001, United States.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2024 May 13; Vol. 64 (9), pp. 3812-3825. <i>Date of Electronic Publication: </i>2024 Apr 23.
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        Value: 10.1021/acs.jcim.4c00071
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        Text: English
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      – TitleFull: FEP Augmentation as a Means to Solve Data Paucity Problems for Machine Learning in Chemical Biology.
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              Text: 2024 May 13
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