| GHOST: adjusting the decision threshold to handle imbalanced data in machine learning C Esposito, GA Landrum, N Schneider, N Stiefl, S Riniker Journal of Chemical Information and Modeling 61 (6), 2623-2640, 2021 | 99 | 2021 |
| Combining machine learning and molecular dynamics to predict P-glycoprotein substrates C Esposito, S Wang, UEW Lange, F Oellien, S Riniker Journal of Chemical Information and Modeling 60 (10), 4730-4749, 2020 | 32 | 2020 |
| Influence of lipidation on the folding and stability of collagen triple helices—an experimental and theoretical study J Egli, C Esposito, M Müri, S Riniker, H Wennemers Journal of the American Chemical Society 143 (15), 5937-5942, 2021 | 27 | 2021 |
| A new family of rigid dienone musks challenges the perceptive range of the human olfactory receptor OR5AN1 J Liu, V Hürlimann, R Emter, A Natsch, C Esposito, SM Linker, Y Zou, ... Synlett 31 (10), 972-976, 2020 | 11 | 2020 |
| In Silico Identification of JMJD3 Demethylase Inhibitors C Esposito, L Wiedmer, A Caflisch Journal of chemical information and modeling 58 (10), 2151-2163, 2018 | 11 | 2018 |
| Machine learning with and for molecular dynamics simulations S Riniker, S Wang, P Bleiziffer, L Böselt, C Esposito Chimia 73 (12), 1024-1024, 2019 | 6 | 2019 |
| Dissecting in vitro the activation of human immune response induced by Shigella sonnei GMMA S Tondi, B Clemente, C Esposito, C Sammicheli, S Tavarini, LB Martin, ... Frontiers in Cellular and Infection Microbiology 12, 767153, 2022 | 3 | 2022 |
| Scikit-Mol brings cheminformatics to Scikit-Learn EJ Bjerrum, RA Bachorz, A Bitton, O Choung, Y Chen, C Esposito, SV Ha, ... | 1 | 2023 |
| Precise estimation of transfer free energies for ionic species between similar media C Esposito, A Vitalis Physical Chemistry Chemical Physics 20 (42), 27003-27010, 2018 | 1 | 2018 |
| In silico screening for demethylase inhibitors and simulations of proteins in the denatured state C Esposito University of Zurich, 2018 | | 2018 |
| In Silico Screening for Demethylase Inhibitors and Simulations of Proteins in the Denatured State: Challenges and Strategies C Esposito Universität Zürich, 2018 | | 2018 |
| Supplementary Information for Precise estimation of transfer free energies for ionic species between similar media C Esposito, A Vitalis | | |
