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.
Authors
- Min Won Ki
- Kyuho Park
- Junpyo Gong (ORCID: https://orcid.org/0009-0008-9432-444X)
- Y Li (ORCID: https://orcid.org/0000-0001-9031-9346)
- Jooeun Park
- Seungchan An (ORCID: https://orcid.org/0000-0002-5840-8987)
- Minsoo Noh (ORCID: https://orcid.org/0000-0002-4020-5372)
- In Guk Park (ORCID: https://orcid.org/0000-0002-7211-2576)
- Sun Hee Jin
- Sein Park
- Jayhyun Cho
- Seokyoung Hwang (ORCID: https://orcid.org/0009-0008-4639-5403)
- Min Ju Lee (ORCID: https://orcid.org/0009-0007-0146-9467)
- Yoojin Shim
- Minkyu Kim
- Junseo Kang
- Uijae Kim
- Yeonjin Lee
Institutions
- Seoul National University (KR)
- National University (SD)
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
Funders
- Ministry of Food and Drug Safety
- National Research Foundation of Korea