Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives

The assessment of cardiotoxicity is a persistent problem in medicinal chemistry. Quantitative structure–activity relationships (QSAR) are one possible way to build up models for cardiotoxicity. Here, we describe the results obtained with the Monte Carlo technique to develop hybrid optimal descriptor...

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Autores principales:	Alla P. Toropova, Andrey A. Toropov, Alessandra Roncaglioni, Emilio Benfenati
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	MDPI AG 2023-09-01
Colección:	Molecules
Materias:	cardiotoxicity Monte Carlo method computational chemistry correlation intensity index CORAL software
Acceso en línea:	https://www.mdpi.com/1420-3049/28/18/6587
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