A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions

• Lena Kalinowsky,
• Julia Weber,
• Shantheya Balasupramaniam,
• Knut Baumann,
• Ewgenij Proschak

Affiliations

Lena Kalinowsky

Institute of Pharmaceutical Chemistry, Goethe University Frankfurt, Frankfurt am Main, Germany

Julia Weber

Institute of Pharmaceutical Chemistry, Goethe University Frankfurt, Frankfurt am Main, Germany

Shantheya Balasupramaniam

Institute of Medicinal and Pharmaceutical Chemistry, University of Technology of Braunschweig, Braunschweig, Germany

Knut Baumann

Institute of Medicinal and Pharmaceutical Chemistry, University of Technology of Braunschweig, Braunschweig, Germany

Ewgenij Proschak

Institute of Pharmaceutical Chemistry, Goethe University Frankfurt, Frankfurt am Main, Germany