OWSum: algorithmic odor prediction and insight into structure-odor relationships

Schicker, D; Singh, S; Freiherr, J; Grasskamp, AT

Schicker, D; Grasskamp, AT (通讯作者)，Fraunhofer Inst Proc Engn & Packaging IVV, Sensory Analyt & Technol, Giggenhauser Str 35, D-85354 Freising Weihenstephan, Germany.;Schicker, D (通讯作者)，Friedrich Alexander Univ Erlangen Nurnberg, Dept Psychiat & Psychotherapy, Schwabachanlage 6, D-91054 Erlangen, Germany.

JOURNAL OF CHEMINFORMATICS, 2023; 15 (1):

Abstract

We derived and implemented a linear classification algorithm for the prediction of a molecule's odor, called Olfactory Weighted Sum (OWSum). Our appro......

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