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. 2015:1260:319-33.
doi: 10.1007/978-1-4939-2239-0_19.

QSAR/QSPR as an application of artificial neural networks

Narelle Montañez-Godínez  1 , Aracely C Martínez-Olguín, Omar Deeb, Ramón Garduño-Juárez, Guillermo Ramírez-Galicia
Affiliations

QSAR/QSPR as an application of artificial neural networks

Narelle Montañez-Godínez et al. Methods Mol Biol. 2015.

Abstract

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.

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