bobbypaton commited on
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Parent(s): 5ca21a0
Update description with 50 atom limit and contact info
Browse files
templates/cascade/predict.html
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Network, developed in the
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<a href="https://patonlab.colostate.edu" target="_blank">Paton group at Colorado State University.</a>
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This tool predicts chemical shifts for neutral organic molecules consisting of C, H, N, O, S, P, F,
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and Cl atoms
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Chemical shifts for individual conformers as well as the ensemble average will be predicted.
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You can view 3D depictions of all conformers and download predictions once the analysis is complete.
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</p>
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<div class="form-group">
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Network, developed in the
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<a href="https://patonlab.colostate.edu" target="_blank">Paton group at Colorado State University.</a>
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This tool predicts chemical shifts for neutral organic molecules consisting of C, H, N, O, S, P, F,
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and Cl atoms. To use, enter a SMILES string below and press submit.
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Chemical shifts for individual conformers as well as the ensemble average will be predicted.
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You can view 3D depictions of all conformers and download predictions once the analysis is complete.
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We impose a size-limit of 50 heavy atoms on this webserver - users interested in larger structures should deploy the model offline or contact us directory (patonlab@colostate.edu)
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</p>
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<div class="form-group">
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