Determining molecular properties with differential mobility spectrometry and machine learning

The fast and accurate determination of molecular properties is highly desirable for many facets of chemical research, particularly in drug discovery where pre-clinical assays play an important role in paring down large sets of drug candidates. Here, we present the use of supervised machine learning...

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Detalles Bibliográficos
Autores principales: Walker, Stephen W. C., Anwar, Ahdia, Psutka, Jarrod M., Crouse, Jeff, Liu, Chang, Le Blanc, J. C. Yves, Montgomery, Justin, Goetz, Gilles H., Janiszewski, John S., Campbell, J. Larry, Hopkins, W. Scott
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269546/
https://www.ncbi.nlm.nih.gov/pubmed/30504922
http://dx.doi.org/10.1038/s41467-018-07616-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269546/
https://www.ncbi.nlm.nih.gov/pubmed/30504922
http://dx.doi.org/10.1038/s41467-018-07616-w

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