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

We derived and implemented a linear classification algorithm for the prediction of a molecule’s odor, called Olfactory Weighted Sum (OWSum). Our approach relies solely on structural patterns of the molecules as features for algorithmic treatment and uses conditional probabilities combined with tf-id...

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Detalles Bibliográficos
Autores principales: Schicker, Doris, Singh, Satnam, Freiherr, Jessica, Grasskamp, Andreas T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10164323/
https://www.ncbi.nlm.nih.gov/pubmed/37150811
http://dx.doi.org/10.1186/s13321-023-00722-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10164323/
https://www.ncbi.nlm.nih.gov/pubmed/37150811
http://dx.doi.org/10.1186/s13321-023-00722-y

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