QSAR without borders

Prediction of chemical bioactivity and physical properties has been one of the most important applications of statistical and more recently, machine learning and artificial intelligence methods in chemical sciences. This field of research, broadly known as Quantitative Structure-Activity Relationshi...

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Publicat a:Chem Soc Rev
Autors principals: Muratov, Eugene N., Bajorath, Jürgen, Sheridan, Robert P., Tetko, Igor, Filimonov, Dmitry, Poroikov, Vladimir, Oprea, Tudor I., Baskin, Igor I., Varnek, Alexandre, Roitberg, Adrian, Isayev, Olexandr, Curtarolo, Stefano, Fourches, Denis, Cohen, Yoram, Aspuru-Guzik, Alan, Winkler, David A., Agrafiotis, Dimitris, Cherkasov, Artem, Tropsha, Alexander
Format: Artigo
Idioma:Inglês
Publicat: 2020
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Article
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC8008490/
https://ncbi.nlm.nih.gov/pubmed/32356548
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0cs00098a
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