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Current Computer-Aided Drug Design


ISSN (Print): 1573-4099
ISSN (Online): 1875-6697

QSAR Multi-Target in Drug Discovery: A Review

Author(s): Riccardo Zanni, María Galvez-Llompart, Jorge Galvez and Ramon García-Domenech

Volume 10, Issue 2, 2014

Page: [129 - 136] Pages: 8

DOI: 10.2174/157340991002140708105124

Price: $65


The main purpose of the present review is to summarize the most significant works up to date in the field of multi-target QSAR (mt-QSAR), in order to emphasize the importance that this technique has acquired over the last decade. Unlike traditional QSAR techniques, mt-QSAR permits to calculate the probability of activity of a given compound against different biological or pharmacological targets. In simple terms, a single equation for multiple outputs.

To emphasize more the importance of the mt-QSAR in the field of drug discovery, we also present a novel mt-QSAR model, made on purpose by our research group, for the prediction of the susceptibility of Gram + and Gram – anaerobic bacteria.

Keywords: Anaerobic bacteria, molecular topology, multi-target QSAR.

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