Artificial intelligence approaches for molecular representation in drug response prediction.

Journal: Current opinion in structural biology
Published Date: Dec 13, 2023

Abstract

Drug response prediction is essential for drug development and disease treatment. One key question in predicting drug response is the representation of molecules, which has been greatly advanced by artificial intelligence (AI) techniques in recent years. In this review, we first describe different types of representation methods, pinpointing their key principles and discussing their limitations. Thereafter we discuss potential ways how these methods could be further developed. We expect that this review will provide useful guidance for researchers in the community.

Authors

  • Cui-Xiang Lin
    School of Mathematics and Computational Science, Xiangtan University, Xiangtan, 411105, Hunan Province, PR China.
  • Yuanfang Guan
    Department of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, MI, USA. gyuanfan@umich.edu.
  • Hong-Dong Li
    Department of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, MI, USA.

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