7 . Orthogonalization methods in QSPR - QSAR Studies


We discuss some features of the orthogonalization methods commonly applied to QSPR QSAR studies. We outline the well known multivariable linear regression analysis in vector form in order to compare mainly Randic and Gram-Schmidt orthogonalization procedures and also cast the basis for other approaches like Löwdin’s one. We expect that present review may become the starting point for future developments in QSAR QSPR Theory.

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@inproceedings{Castro20117O, title={7 . Orthogonalization methods in QSPR - QSAR Studies}, author={Eduardo A. Castro and Pablo R Duchowicz and Francisco M. Fern{\'a}ndez}, year={2011} }