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Cheminformatics
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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.
