Papers matching “computational methods” 1,065
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Structural Determinants of Mac1 Inhibition: Lessons from Ligand Binding Patterns2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Computational Drug Discovery Methods Open access
Verena Weber, Giulia Rossetti, Bernhard Lüscher, Patricia Korn, Sarah Knapp
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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
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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
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Network Pharmacologic Analysis of Tuber Tannin and Copper Sulfate as Mordants and Anti-viral Agents in the Treatment of COVID-192023 Journal of Fiber Science and Technology article Computer Science Computational Drug Discovery Methods Open access
Ying Chen Zhang, Hong Yan Wu, Xian-An Zhang, Yin Daxun, Mingzhu Ma, Yang Ming, +3 more
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Structural Determinants of Mac1 Inhibition: Lessons from Ligand Binding Patterns2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Computational Drug Discovery Methods Open access
Verena Weber, Giulia Rossetti, Bernhard Lüscher, Patricia Korn, Sarah Knapp
0citations -
Datasets and figures from the "Design and evaluation of semantically-valid negative sample integration techniques for scalable semi-automated drug repurposing prediction pipelines in rare disease research" paper (BMC-Bioinformatics)0citations
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Repairability of Inexact Solvers in Recursive State Estimation with Machine Learning2026 arXiv (Cornell University) preprint Computer Science Target Tracking and Data Fusion in Sensor Networks Open access
Yanjun Ji, Dennis Willsch, Orkun Şensebat, Priyanka Arkalgud Ganeshamurthy, Zhi Pei, M. Sahnawaz Alam, +5 more
0citations