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  ## 〰️ AMAX-1: A Benchmark Dataset for UV-Vis Lambda Max Prediction in LC-MS
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- AMAX-1 is an open source dataset designed to assist machine learning models in small molecule UV-Vis absorption maxima (λ<sub>max</sub>) prediction and LC-MS compound characterization workflows. Additionally, AMAX-1 includes ```.smi``` lists of 22,418 unique compounds and 356 unique solvents in the dataset for chemical descriptor calculations.
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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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  AMAX-1 is designed for use in:
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  - Estimating retention times for new compound–environment combinations
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  - 40,016 unique molecule–environment combinations, the largest singular LC-MS retention time dataset of its kind to date
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  - Experimentally measured λ<sub>max</sub> values in nm, curated from public datasets, benchmark papers, and literature
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- If you use this dataset in your research, please cite:
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  ## 📋 Data Sources Used
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  Detailed information on the data sources comprising AMAX-1 can be found in the data folder.
 
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  ## 〰️ AMAX-1: A Benchmark Dataset for UV-Vis Lambda Max Prediction in LC-MS
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+ AMAX-1 is an open source dataset designed to assist machine learning models in small molecule UV-Vis absorption maxima (λ<sub>max</sub>) prediction and LC-MS compound characterization 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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+ Additionally, AMAX-1 includes ```.smi``` lists of 22,418 unique compounds and 356 unique solvents in the dataset for chemical descriptor calculations.
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+
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  AMAX-1 is designed for use in:
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  - Estimating retention times for new compound–environment combinations
 
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  - 40,016 unique molecule–environment combinations, the largest singular LC-MS retention time dataset of its kind to date
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  - Experimentally measured λ<sub>max</sub> values in nm, curated from public datasets, benchmark papers, and literature
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  ## 📋 Data Sources Used
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  Detailed information on the data sources comprising AMAX-1 can be found in the data folder.