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SCRAMBLE’N’GAMBLE: a tool for fast and facile generation of random data for statistical evaluation of QSAR models

A common practice in modern QSAR modelling is to derive models by variable selection methods working on large descriptor pools. As pointed out previously, this is intrinsically burdened with the risk of finding random correlations. Therefore it is desirable to perform tests showing the performance o...

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Publicat a:Chem. Zvesti
Autors principals: Lipiński, Piotr F. J., Szurmak, Przemysław
Format: Artigo
Idioma:Inglês
Publicat: Springer International Publishing 2017
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5655615/
https://ncbi.nlm.nih.gov/pubmed/29104352
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11696-017-0215-7
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