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Update app.py
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app.py
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@@ -276,10 +276,12 @@ if __name__=='__main__':
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input: smiles of one compound, such as CC(OCC)=O, and the ratio of five solvents, example: 20 1 0 0 0 for PE:EA=20:1\n
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output: the predicted Rf value.\n\n
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## Citation\n
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High-throughput discovery of chemical structure-polarity relationships combining automation and machine-learning techniques
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Chem (2022), 3202–3214, 10.1016/j.chempr.2022.08.008
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"""
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input: smiles of one compound, such as CC(OCC)=O, and the ratio of five solvents, example: 20 1 0 0 0 for PE:EA=20:1\n
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output: the predicted Rf value.\n\n
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## Citation\n
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We would like appreciate if you use our software and give us credit in acknowledgement section of your paper:
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We used Rf prediction software in our synthesis work.[Citation1, Citation2]\n
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Citation1: H. Xu, J. Lin, Q. Liu, Y. Chen, J. Zhang, Y. Yang, M.C. Young, Y. Xu, D. Zhang, F. Mo
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High-throughput discovery of chemical structure-polarity relationships combining automation and machine-learning techniques
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Chem (2022), 3202–3214, 10.1016/j.chempr.2022.08.008\n
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Citation2: https://huggingface.co/spaces/woshixuhao/Rf_compare
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"""
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