Articles with "landscapes impact" as a keyword



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Roughness of Molecular Property Landscapes and Its Impact on Modellability

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Published in 2022 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.2c00903

Abstract: In molecular discovery and drug design, structure-property relationships and activity landscapes are often qualitatively or quantitatively analyzed to guide the navigation of chemical space. The roughness (or smoothness) of these molecular property landscapes is one… read more here.

Keywords: property landscapes; landscapes impact; roughness molecular; property ... See more keywords