QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach - researchr publication authors

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Dmitry V. Zankov, Mariia Matveieva, Aleksandra V. Nikonenko, Ramil I. Nugmanov, Igor I. Baskin, Alexandre Varnek, Pavel G. Polishchuk, Timur I. Madzhidov. QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach. Journal of Chemical Information and Computer Sciences, 61(10):4913-4923, 2021. [doi]

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