SMART 2.1 Drag and Drop

Small Molecule Accurate Recognition Technology (SMART) is an Artificial Intelligence-based tool to generate structure hypotheses from NMR data (1H-13C-HSQC spectra). SMART Analysis compares your query HSQC spectrum against a library of > 100,000 Natural Products and provides you with SMILES, structures, cosine similarity, and molecular weight of your compound of interest. Further, to add additional biological context, you get external links to GNPS, MiBIG, and NPAtlas in case of known natural products.

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SMART Peaks Entry


We acknowledge the use of Advanced Chemistry Development, Inc. for use of their HSQC predictor for calculating data in the SMART tool.


We thank Dr. Kikuko Hayamizu for her efforts to create the free open CH-NMR-NP database distributed by JEOL, which was used to train the SMART 2.0.