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This is state of the art pls: o-PLS
Trygg, J., & Wold, S. (2002). Orthogonal projections to latent structures (O-PLS). Journal of Chemometrics, 16(3), 119–128. http://doi.org/10.1002/cem.695
jwist updated
7 years ago
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Allows to find when you have various method of analysis the one that is the more efficient
Westerhuis, J. a, Kourti, T., & MacGregor, J. F. (1998). Analysis of multiblock and hierarchical PCA and PLS…
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Feature selection & data quality assessment:
In order to be sure that we do not work with features (inputs) that are garbage and only add noise,
we should first scan all features and exclude feature…
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Personal communication from Nichola McCann
> I am relatively new to using the cdk, but I have a question about the descriptor generation. When I calculate the Longest Aliphatic Chain (nAtomLAC) for…
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Hello,
javac Test.java
gives me:
Test.java:5: error: package org.openscience.cdk.io.iterator does not exist
import org.openscience.cdk.io.iterator.IteratingSMILESReader;
I am looking …
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currently these are the only functions from other sources (mv is from chemometrics package)
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John, is the new logo intentional, or can I move in the old logo?
egonw updated
7 years ago
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In GitLab by @mhw.hermes on May 26, 2016, 11:57
If the installation is done via devtools as stated in the project description:
```
require ("devtools")
install_git ("https://gitlab.com/chemometr…
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Successfully performing:
- PLS
- PCA
- Working with Models
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Chemometric Needs:
-Make the number of latent vectors static (2 so that we get 2 axes for a 2D graph)
-Save the model in the file system (pca offers the export function to produce an object which we c…