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Molecular Representation

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2 results in Keywords: Molecular Representation

Biological and Medicinal Chemistry

iupacGPT: IUPAC-based large-scale molecular pre-trained model for property prediction and molecule generation

jiashun mao, jianmin wang, Kwang-Hwi Cho, Kyoung Tai No

Version 1 posted 15 May 2023

918

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2

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Theoretical and Computational Chemistry

FlavorMiner: A Machine Learning Platform for Extracting Molecular Flavor Profiles from Structural Data

Fabio Herrera-Rocha, Miguel Fernández-Niño, Jorge Duitama, Mónica P. Cala, María José Chica, Ludger A. Wessjohann, Mehdi D. Davari, Andrés Fernando González Barrios

Version 1 posted 18 June 2024

455

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