Ligand-Target Affinity Prediction and Scaffold Optimisation: Deep Learning Approaches to Accelerated Small-Molecule Drug Discovery

Authors

  • Minh Nguyen Professor of Information Technology, Hanoi University of Science and Technology

Keywords:

ligand-target affinity prediction, scaffold optimisation, deep learning approaches to accelerated small-molecule drug discovery, machine learning

Abstract

AI transformation in the drug discovery area is considered to be one of the most exciting and promising trends in the pharmaceutical industry. Without a doubt, the strategies they use should work. Accumulating experimental data and preclinical research on single drug candidates may take an enormous amount of time and resources, without any promise of the expected benefit.

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Published

30-06-2025

How to Cite

[1]
“Ligand-Target Affinity Prediction and Scaffold Optimisation: Deep Learning Approaches to Accelerated Small-Molecule Drug Discovery”, Blockchain Tech. & Distributed Sys., vol. 5, no. 1, pp. 13–21, Jun. 2025, Accessed: Jun. 05, 2026. [Online]. Available: https://thesciencebrigade.com/btds/article/view/854