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. 2021 Dec 18;9(12):1944. doi: 10.3390/biomedicines9121944

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© 2021 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Orthogonal partial least squares-discriminant analysis (OPLS-DA) between normal controls (NCs, n = 36) and patients with amyotrophic lateral sclerosis (ALS) (n = 36). (A) OPLS-DA shows a separation of metabolites between two groups (R²Y = 0.389, Q² = 0.311). R²Y, cumulative variation in the Y matrix; Q², predictive performance of the model. (B) The top 30 metabolites with variable importance in the projection (VIP) score > 1.0 indicating their contribution to the classification in the OPLS-DA model. aa: acyl-acyl; ae: acyl-alkyl; ADMA: asymmetric dimethylarginine; OH: hydroxy; lysoPC: lysophosphatidylcholine; PC: phosphatidylcholine; SM: sphingomyelin.