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Self-Focusing Virtual Screening with Active Design Space Pruning.

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Title: Self-Focusing Virtual Screening with Active Design Space Pruning.
Authors: Graff DE; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States.; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02142, United States., Aldeghi M; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02142, United States., Morrone JA; Computational Biology Center, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10594, United States., Jordan KE; IBM Thomas J. Watson Research Center, Cambridge, Massachusetts 02142, United States., Pyzer-Knapp EO; IBM Research Europe, Daresbury, Warrington WA4 4AD, United Kingdom., Coley CW; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02142, United States.; Department of Electrical Engineering and Computer Science, MIT, Cambridge, Massachusetts 02142, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2022 Aug 22; Vol. 62 (16), pp. 3854-3862. Date of Electronic Publication: 2022 Aug 06.
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
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  Data: Self-Focusing Virtual Screening with Active Design Space Pruning.
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  Data: <searchLink fieldCode="AU" term="%22Graff+DE%22">Graff DE</searchLink>; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States.; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02142, United States.<br /><searchLink fieldCode="AU" term="%22Aldeghi+M%22">Aldeghi M</searchLink>; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02142, United States.<br /><searchLink fieldCode="AU" term="%22Morrone+JA%22">Morrone JA</searchLink>; Computational Biology Center, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10594, United States.<br /><searchLink fieldCode="AU" term="%22Jordan+KE%22">Jordan KE</searchLink>; IBM Thomas J. Watson Research Center, Cambridge, Massachusetts 02142, United States.<br /><searchLink fieldCode="AU" term="%22Pyzer-Knapp+EO%22">Pyzer-Knapp EO</searchLink>; IBM Research Europe, Daresbury, Warrington WA4 4AD, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Coley+CW%22">Coley CW</searchLink>; Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02142, United States.; Department of Electrical Engineering and Computer Science, MIT, Cambridge, Massachusetts 02142, United States.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.2c00554
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      – Code: eng
        Text: English
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      – TitleFull: Self-Focusing Virtual Screening with Active Design Space Pruning.
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              Text: 2022 Aug 22
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