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Cover Picture: Molecular Property Optimizations with Boundary Conditions through the Best First Search Scheme (ChemPhysChem 10/2016)
Author(s) -
De Vleeschouwer Freija,
Geerlings Paul,
De Proft Frank
Publication year - 2016
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201600403
Subject(s) - cover (algebra) , property (philosophy) , scheme (mathematics) , computer science , boundary (topology) , front cover , theoretical computer science , algorithm , chemistry , nanotechnology , materials science , mathematics , engineering , mechanical engineering , mathematical analysis , philosophy , epistemology
The Front Cover picture shows how information gathered from single‐property optimizations can be exploited to effectively, efficiently, and rationally design novel compounds with multiple desired properties, especially when constraints are applicable. More information can be found in the Concept by F. De Vleeschouwer et al. on page 1414 in Issue 10, 2016 (DOI: 10.1002/cphc.201501189).