Leveraging Quantum Mechanical Properties to Predict Solvent Effects on Large Drug-Like Molecules

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Authors: Mathias Hilfiker, Leonardo Medrano Sandonas, Marco Klähn, Ola Engkvist, Alexandre Tkatchenko

Journal title: Lecture Notes in Computer Science, AI in Drug Discovery

Journal publisher: Springer Nature Switzerland

Published year: 2024

Published pages: 47-57

DOI identifier: 10.1007/978-3-031-72381-0_5