the work describes the use of chemometrics tools such as PCA, PLS in the context of QSAR analysis employing 3D molecular descriptors derived from codification of molecular interactions terms in molecular modeling of biological molecules
PLS: Partial Least Squares Projections to Latent Structures / S., Wold; E., Johansson; Cocchi, Marina. - STAMPA. - (1993), pp. 523-550.
PLS: Partial Least Squares Projections to Latent Structures
COCCHI, Marina
1993
Abstract
the work describes the use of chemometrics tools such as PCA, PLS in the context of QSAR analysis employing 3D molecular descriptors derived from codification of molecular interactions terms in molecular modeling of biological molecules
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