Towards Global QSAR Model Building for Acute Toxicity: Munro Database Case Study

Towards Global QSAR Model Building for Acute Toxicity: Munro Database Case Study

A series of 436 Munro database chemicals were studied with respect to their corresponding experimental LD50 values to investigate the possibility of establishing a global QSAR model for acute toxicity. Dragon molecular descriptors were used for the QSAR model development and genetic algorithms were...

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Bibliographic Details
Main Authors: Chavan, Swapnil, Nicholls, Ian A., Karlsson, Björn C. G., Rosengren, Annika M., Ballabio, Davide, Consonni, Viviana, Todeschini, Roberto
Format: Online
Language:English
Published: MDPI 2014
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4227209/

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