Analysis of fragments contributions calculated with strictural or physico-chemical interpretation approaches by means of SPCI software tool. SPCI (structural and physico-chemical interpretation) tool was developed for automatic building of QSAR models and their subsequent interpretation. More details about developed approaches are in the articles: Molecular Informatics, 2013, 32, 843-853 and J. Chem. Inf. Model., 2016, 56 (8), 1455???1469.
Package details |
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Maintainer | Pavel Polishchuk <pavel_polishchuk@ukr.net> |
License | BSD |
Version | 0.1 |
URL | http://qsar4u.com/sirms_qsar.php |
Package repository | View on GitHub |
Installation |
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