@article{Mohr2022a, author = {B. Mohr and K. Shmilovich and I. S. Kleinwächter and D. Schneider and A. L. Ferguson and T. Bereau}, doi = {10.1039/d2sc00116k}, issn = {2041-6520}, journal = {Chemical Science}, number = {16}, pages = {4498-4511}, title = {Data-driven discovery of cardiolipin-selective small molecules by computational active learning}, volume = {13}, year = {2022} }