SMART 2.1 Drag and Drop
Raphael Reher, Hyun Woo Kim, Chen Zhang et al. "A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural Products" J. Am. Chem. Soc. 2020, 142, 9, 4114–4120
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.
IMPORTANT: Please unblock popup windows to use this website!