Improved 3D-QSAR prediction by multiple-conformational alignment: A case study on PTP1B inhibitors
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DOI: 10.1016/j.compbiolchem.2019.107134
Abstract: Three-dimension quantitative structure activity relationship (3D-QSAR) was one of the major statistical techniques to investigate the correlation of biological activity with structural properties of candidate molecules, and the accuracy of statistic greatly depended on molecular… read more here.
Keywords: alignment; multiple conformational; prediction multiple; qsar prediction ... See more keywords