ASO-RASAR: A Read-Across Framework for Predicting Antisense Oligonucleotide Gapmer Activity Across Target Genes

The development of predictive sequence-activity models capable of reliably identifying optimal antisense oligonucleotide (ASO) candidates across diverse target genes remains a central challenge in ASO drug discovery. Here, we curated a patent-derived data set of 59,273 gapmer ASOs (20-mer 5-10-5 MOE and 16-mer 3-10-3 cET) across 30 human genes and benchmarked gene-specific and cross-target prediction models using comprehensive sequence and target-context descriptors. Gene-specific models achieved strong predictive performance, with genomic context and sequence motifs as the most informative features. However, cross-target models evaluated by leave-one-gene-out cross-validation failed to generalize to new target genes, revealing that ASO activity is governed primarily by target-specific determinants. To address this limitation in data-scarce settings, we developed ASO-RASAR, a read-across sequence-activity relationship model that transfers predictive information from data-rich to data-poor target genes. In simulated low-data scenarios, the best ASO-RASAR strategy improved median AUPRC over standard QSAR baselines by up to 22.5%. Experimental validation using WFDC1-targeting ASOs in human bone marrow-derived mesenchymal stem cells supported that ASO-RASAR prediction scores correlated strongly with knockdown efficiency (Pearson's r = 0.83). These findings establish ASO-RASAR as a practical approach for prioritizing ASO candidates against novel targets with limited experimental data.

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Publication Details

Journal
Journal of Chemical Information and Modeling
Published
2026-06-27
DOI
https://doi.org/10.1021/acs.jcim.6c01314
Primary Topic
Machine Learning in Bioinformatics
Type
article
Field-Weighted Citation Impact
0.00

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article

ASO-RASAR: A Read-Across Framework for Predicting Antisense Oligonucleotide Gapmer Activity Across Target Genes

Min Won Ki, Kyuho Park, Junpyo Gong, Y Li et al.
Journal of Chemical Information and Modeling
Machine Learning in Bioinformatics
article

ASO-RASAR: A Read-Across Framework for Predicting Antisense Oligonucleotide Gapmer Activity Across Target Genes

Min Won Ki, Kyuho Park, Junpyo Gong, Y Li, Jooeun Park, Seungchan An, Minsoo Noh, In Guk Park, Sun Hee Jin, Sein Park, Jayhyun Cho, Seokyoung Hwang, Min Ju Lee, Yoojin Shim, Minkyu Kim, Junseo Kang, Uijae Kim, Yeonjin Lee
article en

Abstract

The development of predictive sequence-activity models capable of reliably identifying optimal antisense oligonucleotide (ASO) candidates across diverse target genes remains a central challenge in ASO drug discovery. Here, we curated a patent-derived data set of 59,273 gapmer ASOs (20-mer 5-10-5 MOE and 16-mer 3-10-3 cET) across 30 human genes and benchmarked gene-specific and cross-target prediction models using comprehensive sequence and target-context descriptors. Gene-specific models achieved strong predictive performance, with genomic context and sequence motifs as the most informative features. However, cross-target models evaluated by leave-one-gene-out cross-validation failed to generalize to new target genes, revealing that ASO activity is governed primarily by target-specific determinants. To address this limitation in data-scarce settings, we developed ASO-RASAR, a read-across sequence-activity relationship model that transfers predictive information from data-rich to data-poor target genes. In simulated low-data scenarios, the best ASO-RASAR strategy improved median AUPRC over standard QSAR baselines by up to 22.5%. Experimental validation using WFDC1-targeting ASOs in human bone marrow-derived mesenchymal stem cells supported that ASO-RASAR prediction scores correlated strongly with knockdown efficiency (Pearson's r = 0.83). These findings establish ASO-RASAR as a practical approach for prioritizing ASO candidates against novel targets with limited experimental data.

Journal of Chemical Information and Modeling
Seoul National University (KR), National University (SD)
Ministry of Food and Drug Safety, National Research Foundation of Korea
Zero hunger
Openalex Percentile: Top 10%
Machine Learning in Bioinformatics
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