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02bb077
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Parent(s):
a16c42d
Update app.py
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app.py
CHANGED
@@ -32,7 +32,7 @@ input: smiles of one compounds, such as CC(OCC)=O; \n
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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
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## Citation
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Welcome to cite our work:\n
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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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@@ -289,7 +289,7 @@ if __name__=='__main__':
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</div>
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''')
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gr.Markdown(model_card)
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demo.launch()
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# smile='O=C(OC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)C'
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# eluent=[0,0.9,0,0,0]
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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
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+
## Citation\n
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Welcome to cite our work:\n
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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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</div>
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''')
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gr.Markdown(model_card)
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gr.Interface(fn=predict_single, inputs=["text", "number","number","number","number","number"], outputs='number')
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demo.launch()
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# smile='O=C(OC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)C'
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# eluent=[0,0.9,0,0,0]
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