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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...
Autores principales: | Lipiński, Piotr F. J., Szurmak, Przemysław |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5655615/ https://www.ncbi.nlm.nih.gov/pubmed/29104352 http://dx.doi.org/10.1007/s11696-017-0215-7 |
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