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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)

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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)Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules., , , and . Comput. Phys. Commun., (2018)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)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)Parallel Implementation of a Monte Carlo Molecular Simulation Program., , and . J. Chem. Inf. Comput. Sci., 40 (3): 588-592 (2000)CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring., , , , , , , , , and . J. Chem. Inf. Model., 59 (9): 3655-3666 (2019)Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands., , , , , , , , , and 7 other author(s). J. Chem. Inf. Model., 55 (10): 2094-2110 (2015)MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors., , , , , , , and . J. Chem. Inf. Model., 59 (1): 86-97 (2019)