@article{KalinowskyWeberBalasupramaniametal.2018, author = {Lena Kalinowsky and Julia Weber and Shantheya Balasupramaniam and Knut Baumann and Ewgenij Proschak}, title = {A diverse benchmark based on 3D matched molecular pairs for validating scoring functions}, journal = {ACS omega}, volume = {3}, pages = {5704 -- 5714}, doi = {10.1021/acsomega.7b01194}, year = {2018}, }