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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