Papers matching “molecular machine learning” 11
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Reproducibility Archive for Explainable Machine Learning Integrating Quantum Mechanical Descriptors and Matched Molecular Pair Analysis for Scaffold-Generalizable Discovery of Soluble Epoxide Hydrolase Inhibitors.2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Dileep Kumar, Ajwin Joseph Martin, Maria Grishina, Mohd Shahbaaz
0citations -
Reproducibility Archive for Explainable Machine Learning Integrating Quantum Mechanical Descriptors and Matched Molecular Pair Analysis for Scaffold-Generalizable Discovery of Soluble Epoxide Hydrolase Inhibitors.2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Dileep Kumar, Ajwin Joseph Martin, Maria Grishina, Mohd Shahbaaz
0citations -
Supporting data for "The Elusive Nature of Aromatic Carbocation Intermediates in Confined Catalytic Environments"2026 Zenodo (CERN European Organization for Nuclear Research) dataset Chemistry Organic and Inorganic Chemical Reactions Open access
Chintu Das, Princy Jarngal, Fabian Berger, Abhishek Khetan, GiovanniMaria Piccini
0citations -
Supporting data for "The Elusive Nature of Aromatic Carbocation Intermediates in Confined Catalytic Environments"2026 Zenodo (CERN European Organization for Nuclear Research) dataset Chemistry Organic and Inorganic Chemical Reactions Open access
Chintu Das, Princy Jarngal, Fabian Berger, Abhishek Khetan, GiovanniMaria Piccini
0citations
11 results