Multiple-Choice Knapsack for Assigning Partial Atomic Charges in Drug-Like Molecules

Martin S. Engler, Bertrand Caron, Lourens Veen, Daan P. Geerke, Alan E. Mark, Gunnar W. Klau. Multiple-Choice Knapsack for Assigning Partial Atomic Charges in Drug-Like Molecules. In Laxmi Parida, Esko Ukkonen, editors, 18th International Workshop on Algorithms in Bioinformatics, WABI 2018, August 20-22, 2018, Helsinki, Finland. Volume 113 of LIPIcs, Schloss Dagstuhl - Leibniz-Zentrum fuer Informatik, 2018. [doi]

Abstract

Abstract is missing.