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Molecular Informatics|February 1, 2020
A Machine Learning Approach for Drug-target Interaction Prediction using Wrapper Feature Selection and Class BalancingShweta Redkar, Sukanta Mondal, Alex Joseph, et al.Molecular Informatics|January 29, 2020
A Novel Model Integration Network Inference Algorithm with Clustering and Hub Genes FindingWenchao Li, Wei Zhang, Jianming ZhangMolecular Informatics|November 21, 2022
NMSDR: Drug repurposing approach based on transcriptome data and network module similarityÜlkü Ünsal, Ali Cüvitoğlu, Kemal Turhan, et al.Molecular Informatics|January 12, 2023
Exploring isofunctional molecules: Design of a benchmark and evaluation of prediction performancePhilippe Pinel, Gwenn Guichaoua, Matthieu Najm, et al.Molecular Informatics|June 22, 2022
Using Active Learning to Develop Machine Learning Models for Reaction Yield PredictionSimon Viet Johansson, Hampus Gummesson Svensson, Esben Bjerrum, et al.Molecular Informatics|June 30, 2022
The Relevance of Goodness-of-fit, Robustness and Prediction Validation Categories of OECD-QSAR Principles with Respect to Sample Size and Model TypePéter Király, Ramóna Kiss, Dániel Kovács, et al.Molecular Informatics|May 28, 2019
Quinoxalinones Based Aldose Reductase Inhibitors: 2D and 3D-QSAR AnalysisVijay H Masand, Nahed N Elsayed, Sumersingh D Thakur, et al.Molecular Informatics|September 14, 2017
Neighboring Structure Visualization on a Grid-based LayoutG Marcou, D Horvath, A VarnekMolecular Informatics|June 22, 2018
Docking of Covalent Ligands: Challenges and ApproachesChristoph SotrifferMolecular Informatics|September 7, 2017
Multi-objective Optimization of Benzamide Derivatives as Rho Kinase InhibitorsGiovanna Cardoso Gajo, Daniela Rodrigues Silva, Stephen J Barigye, et al.Pageof 101