QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach.
Dmitry V. ZankovMariia MatveievaAleksandra V. NikonenkoRamil I. NugmanovIgor I. BaskinAlexandre VarnekPavel G. PolishchukTimur I. MadzhidovPublished in: J. Chem. Inf. Model. (2021)