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References from MULTIVARIATE LINEAR QSPR/QSAR MODELS: RIGOROUS EVALUATION OF VARIABLE SELECTION FOR PLS. Local targets link to admitted publications; unresolved targets remain external evidence.
Unresolved reference
External reference
10.1002/9783527645121
10.1002/9783527645121 · 2012 · External reference
Unresolved reference
2009 · External reference
Machine learning methods for property prediction in chemoinformatics: Quo vadis?
10.1021/ci200409x · 2012 · External reference
10.1021/ac50042a043
10.1021/ac50042a043 · External reference
Unresolved reference
2004 · External reference
Unresolved reference
2010 · External reference
Unresolved reference
2012 · External reference
Unresolved reference
2012 · External reference
Repeated double cross validation
10.1002/cem.1225 · 2009 · External reference
Unresolved reference
2012 · External reference
Unresolved reference
2012 · External reference
10.1080/10618600.1996.10474713
10.1080/10618600.1996.10474713 · External reference
Are there too many R packages?
2012 · External reference
Unresolved reference
External reference
Unresolved reference
1998 · External reference
10.1016/s0169-7439(01)00155-1
10.1016/s0169-7439(01)00155-1 · External reference
SIMPLS: an alternative approach to partial least squares regression
10.1016/0169-7439(93)85002-x · 1993 · External reference
10.1007/978-0-387-21606-5
10.1007/978-0-387-21606-5 · 2001 · External reference
The pls package: Principal component and partial least squares regression in R
10.18637/jss.v018.i02 · 2007 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
Regression shrinkage and selection via the lasso
10.1111/j.2517-6161.1996.tb02080.x · 1996 · External reference
Genetic algorithms in chemistry
10.1016/j.chroma.2007.04.025 · 2007 · External reference
10.1002/9783527645121.ch5
10.1002/9783527645121.ch5 · 2012 · External reference
Unresolved reference
2010 · External reference
RMol: A toolset for transforming SD/Molfile structure information into R objects
10.1186/1751-0473-7-12 · 2012 · External reference
QuACN: an R package for analyzing complex biological networks quantitatively
10.1093/bioinformatics/btq606 · 2011 · External reference
Automatic generation of 3D atomic coordinates for organic molecules
10.1016/0898-5529(90)90156-3 · 1990 · External reference
Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors
10.1021/ci050075s · 2006 · External reference
10.1002/3527601643
10.1002/3527601643 · 2003 · External reference
Molecular structural vector description and retention index of polycyclic aromatic hydrocarbons
2002 · External reference
Discrimination between linear and non-linear models for retention indices of polycyclic aromatic hydrocarbons in the so called Lee's scale
10.1016/j.chemolab.2004.01.011 · 2004 · External reference
Unresolved reference
1994 · External reference
Multivariate models for the concentration of oxygen-18 in precipitation based on meteorological and geographical features
10.1016/j.chemolab.2007.04.005 · 2007 · External reference
What is wrong with quantitative structure-property relations models based on three-dimensional descriptors?
10.1021/ci300246m · 2012 · External reference
