168493 20260209162330.0 doi 10.1021/acscatal.5c06483 sideral 147963 ART-2026-147963 eng Poater, Albert CatalySeed: A Reaction Database for Ruthenium-Catalyzed Ethenolysis of Seed Oils with Applications in Machine Learning 2026 Ethenolysis of unsaturated seed oils is an atom-efficient metathesis reaction that enables α-olefin production and fine chemical synthesis. By upcycling complex biobased molecules into value-added products, it supports circular chemical processes. In this study, we present a curated data set to support machine learning (ML) analysis of catalytic performance in the ethenolysis of seed oils. Through a detailed classification of 768 entries and 217 catalysts, along with the integration of the ROBERT ML framework, with the CatalySeed database we identify key electronic descriptors that correlate with experimental outcomes. Binary classification models for TON (threshold ≥ 0.75 × 106) and % selectivity (≥90%) achieved strong performance, suggesting that higher Ru partial charge tends to correlate with higher TON, while lower metal d-orbital character is generally associated with higher selectivity. These findings illustrate how this database, available through an open-access web server, enables ML to uncover predictive trends, supporting catalyst design strategies beyond conventional computational approaches for the transformation of renewable feedstocks. Access copy available to the general public Unrestricted info:eu-repo/grantAgreement/ES/AEI/AEI PID2024-155989NB-I00 info:eu-repo/grantAgreement/ES/DGA/E07-23R nfo:eu-repo/grantAgreement/ES/MCIN/AEI/10.13039/501100011033 info:eu-repo/grantAgreement/ES/MICINN/PID2022-140159NA-I00 info:eu-repo/semantics/openAccess by https://creativecommons.org/licenses/by/4.0/deed.es info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion García-Abellán, Susana P. Alegre-Requena, Juan V. (orcid)0000-0002-0769-7168 Trzaskowski, Bartosz Martínez, J. Pablo 16, 3 (2026), 2160-2170 ACS catal. ACS CATALYSIS 2155-5435 4176872 http://zaguan.unizar.es/record/168493/files/texto_completo.pdf Versión publicada 3301995 http://zaguan.unizar.es/record/168493/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:168493 articulos driver 2026-02-09-14:42:06 ARTICLE