Few-shot meta-learning applied to whole brain activity maps improves systems neuropharmacology and drug discovery
In this study, we present an approach to neuropharmacological research by integrating few-shot meta-learning algorithms with brain activity mapping (BAMing) to enhance the discovery of central nervous system (CNS) therapeutics. By utilizing patterns from previously validated CNS drugs, our approach facilitates the rapid identification and prediction of potential drug candidates from limited datasets, thereby accelerating the drug discovery process. The application of few-shot meta-learning algorithms allows us to adeptly navigate the challenges of limited sample sizes prevalent in neuropharmacology. The study reveals that our meta-learning-based convolutional neural network (<i>Meta</i>-CNN) models demonstrate enhanced stability and improved prediction accuracy over traditional machine-learning methods. Moreover, our BAM library proves instrumental in classifying CNS drugs and aiding in pharmaceutical repurposing and repositioning. Overall, this research not only demonstrates the effectiveness in overcoming data limitations but also highlights the significant potential of combining BAM with advanced meta-learning techniques in CNS drug discovery.
Authors
- Zhen Liu (ORCID: https://orcid.org/0000-0002-4529-2823)
- Shangzhi Zeng (ORCID: https://orcid.org/0000-0002-6950-7825)
- Wenchong Zhang
- Peng Shi (ORCID: https://orcid.org/0000-0003-0629-4161)
- Yi Heng Cao (ORCID: https://orcid.org/0000-0001-7718-0394)
- Jin Zhang (ORCID: https://orcid.org/0000-0002-6835-920X)
- Stephen J. Haggarty (ORCID: https://orcid.org/0000-0002-7872-168X)
- Shuk Han Cheng (ORCID: https://orcid.org/0000-0002-5822-7238)
- Xuan Luo
- Yanyun Ding
- Honglin Li (ORCID: https://orcid.org/0000-0002-6773-4207)
- Xin Wang (ORCID: https://orcid.org/0000-0002-6229-1945)
Institutions
- City University of Hong Kong (HK)
- Chinese University of Hong Kong (HK)
- Shenzhen Polytechnic University (CN)
- Southern University of Science and Technology (CN)
- Massachusetts General Hospital (US)
- City University of Hong Kong, Shenzhen Research Institute (CN)
- National Supercomputing Center in Shenzhen (CN)
- China National GeneBank (CN)
- East China Normal University (CN)
Publication Details
- Journal
- iScience
- Published
- 2024-09-03
- DOI
- https://doi.org/10.1016/j.isci.2024.110875
- Citations
- 6
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 2.17
Funders
- City University of Hong Kong
- National Natural Science Foundation of China
- Innovation and Technology Commission
- Basic and Applied Basic Research Foundation of Guangdong Province