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license: mit
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## ReTiNA-1: Automated Retention Time Prediction for LC-MS
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ReTiNA-1 is an open-source dataset for training machine learning models to predict small molecule retention times in LC-MS workflows.
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- Estimating retention times for new compound–environment combinations
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- Aiding in peak assignment during LC-MS method development
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- Training ML models for retention time prediction under specific conditions
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license: mit
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## ⚗️ ReTiNA-1: Automated Retention Time Prediction for LC-MS
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ReTiNA-1 is an open-source dataset for training machine learning models to predict small molecule retention times in LC-MS workflows.
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- Estimating retention times for new compound–environment combinations
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- Aiding in peak assignment during LC-MS method development
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- Training ML models for retention time prediction under specific conditions
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If you use this dataset in your research, please cite:
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@misc{yourname2025retina,
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title={ReTiNA-1: Retention Time Inference and Analysis Dataset},
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author={Leung, Nathan},
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year={2025},
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howpublished={\url{https://huggingface.co/datasets/natelgrw/ReTiNA-1}}
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}
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