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MolGraphGAN: a graph transformer–adversarial framework for target-specific molecule generation

Abdelrahman H. Hussein Vikram V. Patel Sudeep Varshney T. Narmadha Adam Amril Jaharadak M. D. Anto Praveena P. Sahu V. Wasson Rajesh Singh
Aug 2026 · Journal of Computer-Aided Molecular Design · Vol 40 · 0 citations · 35 references
Medicine

TL;DR

MolGraphGAN provides a generalizable and experimentally usable pipeline for accelerating target-centric drug discovery in a variety of therapeutics, demonstrating scalability across multiple therapeutic classes, and embeds explainable AI protocols through the presentation of attention maps highlighting substructure having maximum influence on predicted binding.

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