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Kinase Inhibitor Screening In Self-assembled Human Protein Microarrays
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Artificial intelligence methods in kinase target profiling: Advances and challenges.

Shukai Gu1, Huanxiang Liu2, Liwei Liu3

  • 1College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China.

Drug Discovery Today
|October 7, 2023
PubMed
Summary
This summary is machine-generated.

Machine learning and deep learning models improve kinase profiling for drug discovery. These quantitative structure-activity relationship (QSAR) approaches aid in optimizing drugs and predicting side effects.

Keywords:
QSARdeep learninggraph neutral networkkinase profilingmachine learning

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Area of Science:

  • Biochemistry and Molecular Biology
  • Computational Chemistry
  • Pharmacology

Background:

  • Kinases regulate cellular processes, making them key therapeutic targets.
  • Accurate kinase profiling is crucial for drug discovery, addressing selectivity and predicting side effects.

Purpose of the Study:

  • To review advancements in machine learning (ML) and deep learning (DL) based quantitative structure-activity relationship (QSAR) models for kinase profiling.
  • To highlight trends, challenges, and future directions in ML/DL for kinase profiling.

Main Methods:

  • Review of recent literature on ML and DL applications in kinase profiling.
  • Focus on quantitative structure-activity relationship (QSAR) models.

Main Results:

  • ML and DL-based QSAR models show significant progress in kinase profiling.
  • These models assist in lead optimization, drug repurposing, and understanding drug side effects.

Conclusions:

  • ML/DL-based QSAR models are powerful tools for kinase drug discovery.
  • Future work should focus on experimental data set construction and advanced model architectures.