Results 141 to 150 of about 465,997 (269)

Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons.

open access: yesJournal of Chemical Theory and Computation, 2016
G. Prampolini   +4 more
semanticscholar   +1 more source

Harnessing Explainable AI to Explore Structure-Activity Relationships in Artificial Olfaction. [PDF]

open access: yesACS Appl Mater Interfaces
Fukui Y   +4 more
europepmc   +1 more source

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