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  license: mit
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  ---
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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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  ## 📈 The ReTiNA-1 Dataset
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@@ -22,21 +30,21 @@ The ReTiNA-1 dataset contains:
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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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- ReTiNA-1 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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- This dataset 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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- If you use this dataset in your research, please cite:
 
 
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  ```
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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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  ```
 
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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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+
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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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+
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+ ReTiNA-1 is designed for use in:
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+
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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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+
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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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  ```