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Biological and Medicinal Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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fragment-based

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3 results in Keywords: fragment-based

Organic Chemistry

Enhancing deep chemical reaction prediction with advanced chirality and fragment representation

FABRIZIO MASTROLORITO, Fulvio Ciriaco, Orazio Nicolotti, Francesca Grisoni

Version 1 posted 24 April 2025

170

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Biological and Medicinal Chemistry

FragGT: Fragment-based evolutionary molecule generation with gene types

Joshua Meyers, Nathan Brown

Version 1 posted 19 February 2024

706

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Theoretical and Computational Chemistry

STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance

Alejandro Rodríguez Martínez, Jochem Nelen, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Horacio Pérez-Sánchez

Version 1 posted 03 June 2025

66

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