Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives

[Image: see text] In this work, the SOFT.PTML tool has been used to pre-process a ChEMBL dataset of pre-clinical assays of antileishmanial compound candidates. A comparative study of different ML algorithms, such as logistic regression (LOGR), support vector machine (SVM), and random forests (RF), h...

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Detalles Bibliográficos
Autores principales: Santiago, Carlos, Ortega-Tenezaca, Bernabé, Barbolla, Iratxe, Fundora-Ortiz, Brenda, Arrasate, Sonia, Dea-Ayuela, María Auxiliadora, González-Díaz, Humberto, Sotomayor, Nuria, Lete, Esther
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9986876/
https://www.ncbi.nlm.nih.gov/pubmed/35946598
http://dx.doi.org/10.1021/acs.jcim.2c00731

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