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Molecular representation

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3 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

1,112

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3

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Theoretical and Computational Chemistry

Metal-FP: A hybrid molecular fingerprint to encode metal-based approved drugs

EDGAR LÓPEZ LÓPEZ, José L. Medina-Franco

Version 1 posted 27 February 2025

120

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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

568

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1

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