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README.md
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license: mit
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---
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## ⚗️ ReTiNA-1:
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ReTiNA-1 is
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## 📈 The ReTiNA-1 Dataset
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- The mobile phase flow rate, measured in mL/min
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- The column temperature, measured in degrees Celsius
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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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```
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@
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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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```
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license: mit
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---
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## ⚗️ ReTiNA-1: A Benchmark Dataset for LC-MS Retention Time Modeling
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ReTiNA-1 is a large open-source dataset for training machine learning models to predict small molecule retention times in LC-MS workflows.
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This dataset is actively expanding with new experimental retention time values from the Coley Research Group at MIT, ensuring it remains a growing resource for optical property prediction.
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ReTiNA-1 is designed for use in:
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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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## 📈 The ReTiNA-1 Dataset
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- The mobile phase flow rate, measured in mL/min
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- The column temperature, measured in degrees Celsius
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If you use this dataset in your research, please cite:
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## Data Sources
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Detailed information on the data sources comprising ReTiNA-1 can be found in the data folder.
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## Citation
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If you use this code in a project, please cite the following:
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```
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@database{
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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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```
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