Roughness of Molecular Property Landscapes and Its Impact on Modellability.
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| Title: | Roughness of Molecular Property Landscapes and Its Impact on Modellability. |
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| Authors: | Aldeghi M; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts02139, United States., Graff DE; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts02138, United States.; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts02139, United States., Frey N; Lincoln Laboratory, Massachusetts Institute of Technology, Lexington, Massachusetts02421, United States., Morrone JA; IBM Thomas J. Watson Research Center, Yorktown Heights, New York10598, United States., Pyzer-Knapp EO; IBM Research Europe, WarringtonWA4 4AD, United Kingdom., Jordan KE; IBM Thomas J. Watson Research Center, Cambridge, Massachusetts02142, United States., Coley CW; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts02139, United States.; Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts02139, United States. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2022 Oct 10; Vol. 62 (19), pp. 4660-4671. Date of Electronic Publication: 2022 Sep 16. |
| 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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