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.
|Maintainer||Pavel Polishchuk <[email protected]>|
|Package repository||View on GitHub|
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