March 8, 2016
Structure Elucidation
Structure determination of unknown compounds, impurity analysis, and more....
March 8, 2016
PubChem Data Mining
Using MolSimNMR to cluster PubChem structures into families of chemical compounds with similar NMR data...
March 8, 2016
Molecular Similarity
MolSimNMR is an NMR-specific molecular fingerprint capable of quantifying NMR Spectral Data Similarity based solely on structural information....
March 8, 2016
Chemometric Playground
Web applcation demostrating some key concepts about Chemometric Applications....