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Autor:
Dmitrii O. Shkil, Alina A. Muhamedzhanova, Philipp I. Petrov, Ekaterina V. Skorb, Timur A. Aliev, Ilya S. Steshin, Alexander V. Tumanov, Alexander S. Kislinskiy, Maxim V. Fedorov
Publikováno v:
Molecules, Vol 29, Iss 8, p 1826 (2024)
In the realm of predictive toxicology for small molecules, the applicability domain of QSAR models is often limited by the coverage of the chemical space in the training set. Consequently, classical models fail to provide reliable predictions for wid
Externí odkaz:
https://doaj.org/article/05b9b7906b4f45499baad9cfefe4cad5