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Disambiguation of "Rodríguez-Pérez, Raquel"

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Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds.

, , and . J. Chem. Inf. Model., 57 (4): 710-716 (2017)

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Claudia Patricia Pérez-Rodríguez

Elsa Pérez Rodriguez

Eduardo Rodriguez-Pérez

David Rodriguez-Pérez

Ema Pérez Bravo

 

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Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds., , and . J. Chem. Inf. Model., 57 (4): 710-716 (2017)Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions., and . J. Comput. Aided Mol. Des., 35 (3): 285-295 (2021)Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery., and . J. Comput. Aided Mol. Des., 36 (5): 355-362 (2022)Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions., and . J. Comput. Aided Mol. Des., 34 (10): 1013-1026 (2020)Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks., , , , , , and . J. Chem. Inf. Model., 62 (13): 3180-3190 (2022)Machine Learning Methodologies for Interpretable Compound Activity Predictions. University of Bonn, Germany, (2020)base-search.net (ftunivbonn:oai:bonndoc.ulb.uni-bonn.de:20.500.11811/8300).Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning., , and . J. Cheminformatics, 12 (1): 36 (2020)Explaining compound activity predictions with a substructure-aware loss for graph neural networks., , and . J. Cheminformatics, 15 (1): 67 (December 2023)Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds., , , , , , , , , and 9 other author(s). J. Cheminformatics, 14 (1): 82 (2022)