Welcome to MID The Molecule Identifier
MID is currently under development
This is a beta version of the final web service. Access to the tool is currently restricted to selected testing research groups. If you are interested in testing MID, improving your molecular identification workflows, and providing feedback to support development, please contact us via the contact form.
If you would like to learn more about the tool, its scientific scope, or the beta access program, please refer to the information provided in About.
MID is a comprehensive set of tools designed to support molecular identification and structural elucidation. Each tool integrates thousands of high-precision quantum chemistry calculations with advanced algorithms capable of interpreting complex spectroscopic data such as NMR, mass spectrometry, and infrared spectroscopy.
Within this platform, you will find tools to analyze and identify individual signals in NMR spectra, predict isotopic patterns in MS, and interpret the most relevant fingerprint regions in IR spectra. Additional utilities allow you to predict NMR spectra directly from a molecular structure with high accuracy.
At the core of MID lies the Molecule Identifier — our flagship tool. It integrates information from multiple spectroscopic techniques, including ¹H NMR, ¹³C NMR, MS, and IR, identifies key spectral features, and generates all plausible molecular structures consistent with the experimental data.