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5 results in Keywords: Data fusion

Biological and Medicinal Chemistry

Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease

Marisa G. Santibáñez-Morán, Edgar López-López, Fernando D. Prieto-Martínez, Norberto Sánchez-Cruz, Jose L. Medina-Franco

Version 1 posted 04 June 2020

628

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4

Citations

Analytical Chemistry

Data fusion discovery (DAFdiscovery) pipeline to aid compound annotation and bioactive compound discovery across diverse spectral data

Ricardo Moreira Borges, Fernanda Neves Costa, Fernanda Oliveira Chagas, Andrew Magno Teixeira, Jaewon Yoon, Márcio Barczyszyn Weiss, Camila Manoel Crnkovic, Alan Cesar Pilon, Bruno Carius Garrido, Luz Adriana Betancur, Abel Mateo Forero Tunjano, Leonardo Castellanos, Freddy Ramos, Monica Tallarico Pupo, Stefan Kuhn

Version 2 posted 30 June 2022

343

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Analytical Chemistry

PROSAC as a selection tool for SO-PLS regression: a strategy for multi-block data fusion

Jose Antonio Diaz-Olivares, Ryad Bendoula, Wouter Saeys, Maxime Ryckewaert, Ines Adriaens, Xinyue Fu, Matti Pastell, Jean-Michel Roger, Ben Aernouts

Version 1 posted 28 February 2024

224

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Biological and Medicinal Chemistry

Towards uncoding hepatotoxicity of approved drugs through navigation of multiverse and consensus chemical spaces

Edgar López-López, José L. Medina-Franco

Version 1 posted 18 October 2022

163

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Theoretical and Computational Chemistry

Rethinking the 'Best Method' Paradigm: The Effectiveness of Hybrid and Multidisciplinary Approaches in Chemoinformatics

Jose L. Medina-Franco, Johny R. Rodríguez-Pérez, Héctor F. Cortés-Hernández, Edgar López-López

Version 2 posted 20 November 2024

364

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