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3 results in Keywords: Extra Trees

Theoretical and Computational Chemistry

Which molecular properties determine the impact sensitivity of an explosive? A machine learning quantitative investigation of nitroaromatic explosives

Itamar Borges Jr, Júlio César Duarte, Romulo Dias da Rocha

Version 1 posted 15 November 2022

731

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Biological and Medicinal Chemistry

Protein pKa prediction by tree-based machine learning

Ada Y. Chen, Juyong Lee, Ana Damjanovic, Bernard R. Brooks

Version 1 posted 14 December 2021

781

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Fingerprint Analysis of X-Ray Absorption Spectra of Catalysts: From Linear Combination Fit to Machine-Learning Trained on Multielement Experimental Library

Bogdan Protsenko, Yuya Kakiuchi, Sergey Guda, David Trummer, Anna Zabilska, Svetlana Shapovalova, Alexander Soldatov, Olga Safonova, Christophe Coperet, Alexander Guda

Version 2 posted 01 October 2024

278

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