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., W., E., J., Cocchi, M. - In: 3D QSAR in Drug Design: Theory, Methods and Applications. / H. KUBINYI. - STAMPA. - LEIDEN : KLUWER ESCOM Science Publisher, 1993. - ISBN 9789072199140. - 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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