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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Mazen Ahmad

3 results in Authors: Mazen Ahmad

Theoretical and Computational Chemistry

A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

Oscar Méndez-Lucio, Mazen Ahmad, Ehecatl Antonio del Rio-Chanona, Jörg Kurt Wegner

Version 1 posted 20 April 2021

5,397

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1

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Biological and Medicinal Chemistry

Binding Affinity Prediction with 3D Machine Learning: Training Data and Challenging External Testing

Jose Carlos Gómez-Tamayo, Lili Cao, Mazen Ahmad, Gary Tresadern

Version 1 posted 01 February 2024

614

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Biological and Medicinal Chemistry

PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models

Morgan Thomas, Mazen Ahmad, Gary Tresadern, Gianni de Fabritiis

Version 1 posted 06 March 2024

724

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1

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