The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare

Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey. The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare. Journal of Chemical Information and Computer Sciences, 62(7):1644-1653, 2022. [doi]

Abstract

Abstract is missing.