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Título del libro: Artificial Neural Networks: Second Edition
Título del capítulo: QSAR/QSPR as an application of artificial neural networks

Autores UNAM:
RAMON GARDUÑO JUAREZ;
Autores externos:

Idioma:
Inglés
Año de publicación:
2014
Palabras clave:

Artificial neural networks; Principal component analysis; Quantitative structure-activity relationship; Quantitative structure-property relationship


Resumen:

Quantitative Structure-Activity Relationships (QSARs) and Quantitative Structure-Property Relationships (QSPRs) are mathematical models used to describe and predict a particular activity/property of compounds. On the other hand, the Artificial Neural Network (ANN) is a tool that emulates the human brain to solve very complex problems. The exponential need for new compounds in the drug industry requires alternatives for experimental methods to decrease development time and costs. This is where chemical computational methods have a great relevance, especially QSAR/QSPR-ANN. This chapter shows the importance of QSAR/QSPR-ANN and provides examples of its use. © Springer Science+Business Media New York 2015. All rights are reserved.


Entidades citadas de la UNAM: