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Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity., , and . J. Comput. Chem., 29 (4): 533-549 (2007)On the stability of metal-aminoacid complexes in water based on water-ligand exchange reactions and electronic properties: Detailed study on iron-glycine hexacoordinated complexes., and . J. Comput. Chem., 31 (15): 2735-2745 (2010)Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models., , , , , and . J. Chem. Inf. Model., 51 (10): 2746-2759 (2011)New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques., , , and . J. Chem. Inf. Model., 59 (10): 4070-4076 (2019)Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules., , , and . Comput. Phys. Commun., (2018)QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models., , , and . J. Chem. Inf. Model., 59 (6): 2538-2544 (2019)Ab initio copper-water interaction potential for the simulation of aqueous solutions., and . J. Comput. Chem., 14 (6): 629-638 (1993)Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics., , and . J. Chem. Inf. Model., 51 (12): 3060-3077 (2011)Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD., , , , and . Comput. Biol. Medicine, (May 2023)Desirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles., , and . J. Comput. Chem., 29 (14): 2445-2459 (2008)