Improving Measures of Chemical Structural Similarity Using Machine Learning on Chemical–Genetic Interactions

[Image: see text] A common strategy for identifying molecules likely to possess a desired biological activity is to search large databases of compounds for high structural similarity to a query molecule that demonstrates this activity, under the assumption that structural similarity is predictive of...

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Detalles Bibliográficos
Autores principales: Safizadeh, Hamid, Simpkins, Scott W., Nelson, Justin, Li, Sheena C., Piotrowski, Jeff S., Yoshimura, Mami, Yashiroda, Yoko, Hirano, Hiroyuki, Osada, Hiroyuki, Yoshida, Minoru, Boone, Charles, Myers, Chad L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479812/
https://www.ncbi.nlm.nih.gov/pubmed/34318674
http://dx.doi.org/10.1021/acs.jcim.0c00993

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8479812/
https://www.ncbi.nlm.nih.gov/pubmed/34318674
http://dx.doi.org/10.1021/acs.jcim.0c00993

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