Nikolai Schapin

Nikolai Schapin

Universitat Pompeu Fabra - Barcelona / Spain
Engineering & Technology / Computer Science
AD Scientific Index ID: 5317474
Pompeu Fabra University
person_outline Nikolai Schapin's MOST POPULAR ARTICLES
1-) PlayMolecule glimpse: Understanding protein–ligand property predictions with interpretable neural networksA Varela-Rial, I Maryanow, M Majewski, S Doerr, N Schapin, ...Journal of chemical information and modeling 62 (2), 225-231, 2022132022
2-) Machine Learning Small Molecule Properties in Drug DiscoveryN Schapin, M Majewski, A Varela-Rial, C Arroniz, G De FabritiisArtificial Intelligence Chemistry, 100020, 202342023
3-) On Machine Learning Approaches for Protein-Ligand Binding Affinity PredictionN Schapin, C Navarro, A Bou, G De FabritiisarXiv preprint arXiv:2407.19073, 20242024
4-) PlayMolecule pKAce: Small Molecule Protonation through Equivariant Neural NetworksN Schapin, M Majewski, M Torrens-Fontanals, G De FabritiisarXiv preprint arXiv:2407.11103, 20242024