Performance of multicomponent self-organizing regression (MCSOR) in QSAR, QSPR, and multivariate calibration: comparison with partial least-squares (PLS) and validation with large external data sets
Tuppurainen, K., Korhonen, S.-P., Ruuskanen, J.
Published in SAR and QSAR in environmental research (01.12.2006)
Published in SAR and QSAR in environmental research (01.12.2006)
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Journal Article
Improving the performance of SOMFA by use of standard multivariate methods
Korhonen, S.-P., Tuppurainen, K., Laatikainen, R., Peräkylä, M.
Published in SAR and QSAR in environmental research (01.12.2005)
Published in SAR and QSAR in environmental research (01.12.2005)
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Journal Article
MetIDB: A Publicly Accessible Database of Predicted and Experimental 1H NMR Spectra of Flavonoids
Mihaleva, Velitchka V, te Beek, Tim A. H, van Zimmeren, Frank, Moco, Sofia, Laatikainen, Reino, Niemitz, Matthias, Korhonen, S.-P, van Driel, Marc A, Vervoort, Jacques
Published in Analytical chemistry (Washington) (17.09.2013)
Published in Analytical chemistry (Washington) (17.09.2013)
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Journal Article
MetIDB: A Publicly Accessible Database of Predicted and Experimental 1 H NMR Spectra of Flavonoids
Mihaleva, Velitchka V., te Beek, Tim A. H., van Zimmeren, Frank, Moco, Sofia, Laatikainen, Reino, Niemitz, Matthias, Korhonen, S.-P., van Driel, Marc A., Vervoort, Jacques
Published in Analytical chemistry (Washington) (17.09.2013)
Published in Analytical chemistry (Washington) (17.09.2013)
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Journal Article
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions
Korhonen, Samuli-Petrus, Tuppurainen, Kari, Laatikainen, Reino, Peräkylä, Mikael
Published in Journal of chemical information and modeling (01.11.2005)
Published in Journal of chemical information and modeling (01.11.2005)
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Journal Article
FLUFF-BALL, A Template-Based Grid-Independent Superposition and QSAR Technique: Validation Using a Benchmark Steroid Data Set
Korhonen, Samuli-Petrus, Tuppurainen, Kari, Laatikainen, Reino, Peräkylä, Mikael
Published in Journal of Chemical Information and Computer Sciences (01.11.2003)
Published in Journal of Chemical Information and Computer Sciences (01.11.2003)
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Journal Article
TRANSPORTATION SYSTEM
Kenneth Kronkvist K, Jukka Salmikuukka J, Pekka Korhonen P, Harri Lnsi H, Ari Virtanen A
Year of Publication 05.05.2017
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Year of Publication 05.05.2017
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