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Network Modeling Analysis in Health Informatics and Bioinformatics

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01-12-2017 | Original Article

Exploration of new scaffolds pyrazole derivatives containing thiourea skeleton as anticancer activity using QSAR approach

Authors: M. C. Sharma, S. Sharma

Published in: Network Modeling Analysis in Health Informatics and Bioinformatics | Issue 1/2017

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Abstract

A forty six compounds series of potential epidermal growth factor receptor kinase inhibitors of pyrazole derivatives containing thiourea analogs were subjected to quantitative structure–activity relationship analyses. The QSAR model developed gave good predictive correlation coefficient (r ²) of 0.8225, significant cross-validated correlation coefficient (q ²) of 0.7322, r ² for external test set (pred_r ²) 0.7883 was developed. It will be useful to build a QSAR model to predict and optimize the properties and activities of pyrazole derivatives and determine key structural requirements for their enhanced anticancer activity.

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Title: Exploration of new scaffolds pyrazole derivatives containing thiourea skeleton as anticancer activity using QSAR approach
Authors: M. C. Sharma
S. Sharma
Publication date: 01-12-2017
Publisher: Springer Vienna
Published in: Network Modeling Analysis in Health Informatics and Bioinformatics / Issue 1/2017
Print ISSN: 2192-6662
Electronic ISSN: 2192-6670
DOI: https://doi.org/10.1007/s13721-017-0151-z

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