1 Input Molecule By Drawing

  You can draw a molecule in ChemDoodle Panel and then submit it to the server by Submit By Drawing Button, and the server will return the Result Page or some alerts for the invalid molecule.

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2 Input SMILES

  You can input SMILES manually on SMILES Input Window. With a SMILES in SMILES Input Window, you can submit it to the server and the server will return the Result Page or some alerts for invalid SMILES.

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3 Input File

  You can click on File Input Window and input a CSV File or SDF File. The CSV File must contain SMILES with the header named smiles. (An Example CSV File is provided for illustration. You can download this file by clicking on it.) Only one file is available in File Input Window, and if multiple files are provided only the last file is available. With one file in File Input Window, you can submit it to the server and the server will return the Result Page or some alerts for Invalid molecules.

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If you have multiple molecules for computation, We recommend you pack them all together into an SDF file or a CSV file and then submit.