Cheminformatics
Title | Description | Input Data |
---|---|---|
Img2Mol | This capsule uses Img2Mol to predict the compound structure for input chemical images. It will output a structure data file and SMILES representation for each input image. | .jpg or .png images of chemical compounds |
DECIMER 2.0 | This capsule uses DECIMER (Deep Earning for Chemical ImagE Recognition) 2.0 to predict the SMILES (simplified molecular input line entry system) for input chemical images. | .jpg or .png images of chemical compounds |
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