{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,25]],"date-time":"2026-07-25T11:08:46Z","timestamp":1784977726814,"version":"3.55.0"},"reference-count":87,"publisher":"MDPI AG","issue":"21","license":[{"start":{"date-parts":[[2024,11,4]],"date-time":"2024-11-04T00:00:00Z","timestamp":1730678400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Analytical Center for the Government of the Russian Federation","award":["000000D730324P540002"],"award-info":[{"award-number":["000000D730324P540002"]}]},{"name":"Analytical Center for the Government of the Russian Federation","award":["70-2023-001318"],"award-info":[{"award-number":["70-2023-001318"]}]},{"name":"Novosibirsk State University","award":["000000D730324P540002"],"award-info":[{"award-number":["000000D730324P540002"]}]},{"name":"Novosibirsk State University","award":["70-2023-001318"],"award-info":[{"award-number":["70-2023-001318"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Despite considerable investigative efforts, the molecular mechanisms of postoperative delirium (POD) remain unresolved. The present investigation employs innovative methodologies for identifying potential primary and secondary metabolic markers of POD by analyzing serum metabolomic profiles utilizing the genetic algorithm and artificial neural networks. The primary metabolomic markers constitute a combination of metabolites that optimally distinguish between POD and non-POD groups of patients. Our analysis revealed L-lactic acid, inositol, and methylcysteine as the most salient primary markers upon which the prediction accuracy of POD manifestation achieved AUC = 99%. The secondary metabolomic markers represent metabolites that exhibit perturbed correlational patterns within the POD group. We identified 54 metabolites as the secondary markers of POD, incorporating neurotransmitters such as gamma-aminobutyric acid (GABA) and serotonin. These findings imply a systemic disruption in metabolic processes in patients with POD. The deployment of gene network reconstruction techniques facilitated the postulation of hypotheses describing the role of established genomic POD markers in the molecular-genetic mechanisms of metabolic pathways dysregulation, and involving the identified primary and secondary metabolomic markers. This study not only expands the understanding of POD pathogenesis but also introduces a novel technology for the bioinformatic analysis of metabolomic data that could aid in uncovering potential primary and secondary markers in diverse research domains.<\/jats:p>","DOI":"10.3390\/ijms252111847","type":"journal-article","created":{"date-parts":[[2024,11,4]],"date-time":"2024-11-04T09:52:54Z","timestamp":1730713974000},"page":"11847","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["AI-Assisted Identification of Primary and Secondary Metabolomic Markers for Postoperative Delirium"],"prefix":"10.3390","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1859-4631","authenticated-orcid":false,"given":"Vladimir A.","family":"Ivanisenko","sequence":"first","affiliation":[{"name":"Institute of Cytology and Genetics, Siberian Branch of Russian Academy of Sciences (SB RAS), Novosibirsk 630090, Russia"},{"name":"The Artificial Intelligence Research Center of Novosibirsk State University, Novosibirsk 630090, Russia"},{"name":"Kurchatov Genomic Center of Institute of Cytology and Genetics, SB RAS, Novosibirsk 630090, Russia"},{"name":"Department of Information Biology, Novosibirsk State University, Novosibirsk 630090, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3338-8529","authenticated-orcid":false,"given":"Artem D.","family":"Rogachev","sequence":"additional","affiliation":[{"name":"The Artificial Intelligence Research Center of Novosibirsk State University, Novosibirsk 630090, Russia"},{"name":"N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk 630090, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-1844-7921","authenticated-orcid":false,"given":"Aelita-Luiza A.","family":"Makarova","sequence":"additional","affiliation":[{"name":"Institute of Cytology and Genetics, Siberian Branch of Russian Academy of Sciences (SB RAS), Novosibirsk 630090, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6390-5796","authenticated-orcid":false,"given":"Nikita V.","family":"Basov","sequence":"additional","affiliation":[{"name":"The Artificial Intelligence Research Center of Novosibirsk State University, Novosibirsk 630090, Russia"},{"name":"N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk 630090, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Evgeniy V.","family":"Gaisler","sequence":"additional","affiliation":[{"name":"The Artificial Intelligence Research Center of Novosibirsk State University, Novosibirsk 630090, Russia"},{"name":"V. 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