Benchmarking machine learning methods for synthetic lethality prediction in cancer

Synthetic lethality (SL) is a gold mine of anticancer drug targets, exposing cancer-specific dependencies of cellular survival. To complement resource-intensive experimental screening, many machine learning methods for SL prediction have emerged recently. However, a comprehensive benchmarking is lacking. This study systematically benchmarks 12 recent machine learning methods for SL prediction, assessing their performance across diverse data splitting scenarios, negative sample ratios, and negative sampling techniques, on both classification and ranking tasks. We observe that all the methods can perform significantly better by improving data quality, e.g., excluding computationally derived SLs from training and sampling negative labels based on gene expression. Among the methods, SLMGAE performs the best. Furthermore, the methods have limitations in realistic scenarios such as cold-start independent tests and context-specific SLs. These results, together with source code and datasets made freely available, provide guidance for selecting suitable methods and developing more powerful techniques for SL virtual screening.

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Publication Details

Journal
Nature Communications
Published
2024-10-20
DOI
https://doi.org/10.1038/s41467-024-52900-7
Citations
25
Primary Topic
PARP inhibition in cancer therapy
Type
article
Field-Weighted Citation Impact
7.06
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article

Benchmarking machine learning methods for synthetic lethality prediction in cancer

Jie Zheng, Yahui Long, Min Wu, Quan Li et al.
25 citations
Nature Communications
PARP inhibition in cancer therapy
7.06
article

Benchmarking machine learning methods for synthetic lethality prediction in cancer

Jie Zheng, Yahui Long, Min Wu, Quan Li, Yang Ouyang, Yimiao Feng, He Wang
article en
25 citations

Abstract

Synthetic lethality (SL) is a gold mine of anticancer drug targets, exposing cancer-specific dependencies of cellular survival. To complement resource-intensive experimental screening, many machine learning methods for SL prediction have emerged recently. However, a comprehensive benchmarking is lacking. This study systematically benchmarks 12 recent machine learning methods for SL prediction, assessing their performance across diverse data splitting scenarios, negative sample ratios, and negative sampling techniques, on both classification and ranking tasks. We observe that all the methods can perform significantly better by improving data quality, e.g., excluding computationally derived SLs from training and sampling negative labels based on gene expression. Among the methods, SLMGAE performs the best. Furthermore, the methods have limitations in realistic scenarios such as cold-start independent tests and context-specific SLs. These results, together with source code and datasets made freely available, provide guidance for selecting suitable methods and developing more powerful techniques for SL virtual screening.

Nature CommunicationsVol. 15(1)
Agency for Science, Technology and Research (SG), Institute for Infocomm Research (SG), ShanghaiTech University (CN), Bioinformatics Institute (SG)
Openalex Percentile: Top 2%
PARP inhibition in cancer therapy
7.06
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