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A collection of machine learning models for predicting the retention time of chemical compounds in various LC-MS. These models use molecular descriptors and method encodings to predict chemical retention times, useful for automated compound identification.
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Current Version: **1.0.0**
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Source code for the ReTiNA model collection is available at this [Github Repository](https://github.com/natelgrw/retina_models).
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The ReTiNA dataset is available at this [Hugging Face Repository](https://huggingface.co/datasets/natelgrw/ReTiNA).
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A collection of machine learning models for predicting the retention time of chemical compounds in various LC-MS. These models use molecular descriptors and method encodings to predict chemical retention times, useful for automated compound identification.
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Source code for the ReTiNA model collection is available at this [Github Repository](https://github.com/natelgrw/retina_models).
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The ReTiNA dataset is available at this [Hugging Face Repository](https://huggingface.co/datasets/natelgrw/ReTiNA).
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