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Update app.py
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app.py
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@@ -20,6 +20,23 @@ import wget
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import warnings
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import gradio as gr
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warnings.filterwarnings("ignore")
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Eluent_smiles=['CCCCCC','CC(OCC)=O','C(Cl)Cl','CO','CCOCC']
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def parse_args():
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import warnings
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import gradio as gr
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warnings.filterwarnings("ignore")
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theme = gr.themes.Monochrome(
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primary_hue="indigo",
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secondary_hue="blue",
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neutral_hue="slate",
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)
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model_card = f"""
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## Description
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It is a app for predicting Rf values of two compounds under different eluents in TLC.
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input: smiles of two compounds, such as CC(OCC)=O
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output: three images that show the Rf curve with different eluent ratios under PE/EA, DCM/MeOH, PE:Et2O system.
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#Citation
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Welcome to cite our work:
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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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Chem (2022), pp. 1-13, 10.1016/j.chempr.2022.08.008
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"""
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Eluent_smiles=['CCCCCC','CC(OCC)=O','C(Cl)Cl','CO','CCOCC']
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def parse_args():
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