Comparison of different partial least-squares methods in quantitative structure–activity relationships
- 1 January 2003
- journal article
- Published by Elsevier in Analytica Chimica Acta
- Vol. 476 (1) , 85-92
- https://doi.org/10.1016/s0003-2670(02)01257-6
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Combining PLS with GA-GP for QSARChemometrics and Intelligent Laboratory Systems, 2002
- Synthesis, Pharmacological Evaluation, and Structure−Activity Relationship and Quantitative Structure−Activity Relationship Studies on Novel Derivatives of 2,4-Diamino-6,7-dimethoxyquinazoline α1-Adrenoceptor AntagonistsJournal of Medicinal Chemistry, 1999
- Combining nonlinear PLS with the numeric genetic algorithm for QSARChemometrics and Intelligent Laboratory Systems, 1999
- Optimization of the Inner Relation Function of QPLS Using Genetic AlgorithmJournal of Chemical Information and Computer Sciences, 1997
- QSAR Based on Multiple Linear Regression and PLS Methods for the Anti-HIV Activity of a Large Group of HEPT DerivativesJournal of Chemical Information and Computer Sciences, 1997
- Nonlinear Quantitative Structure−Activity Relationship for the Inhibition of Dihydrofolate Reductase by PyrimidinesJournal of Medicinal Chemistry, 1996
- Numeric genetic algorithm Part I. Theory, algorithm and simulated experimentsAnalytica Chimica Acta, 1994
- Nonlinear partial least squares modelling II. Spline inner relationChemometrics and Intelligent Laboratory Systems, 1992
- A nonlinear PLS modelChemometrics and Intelligent Laboratory Systems, 1990
- Peptide quantitative structure-activity relationships, a multivariate approachJournal of Medicinal Chemistry, 1987