About MID The Molecule Identifier
Empowering researchers and laboratory professionals to decode molecular structures with accuracy, efficiency, and confidence.
The science behind MID How the tool works
MID is a fully theoretical platform designed for spectral interpretation and spectra prediction across multiple analytical techniques, including ¹H and ¹³C NMR, infrared spectroscopy, and mass spectrometry, with support for additional techniques under active development.
The core of MID relies on advanced mathematical representations of molecular environments. Experimental spectral signals are translated into molecular graphs that encode the local atomic environment of each signal. These graphs are then compared against a large, carefully curated database generated using high-precision quantum chemical calculations.
For spectral interpretation, MID identifies the most probable molecular environments responsible for each experimental peak. For spectral prediction, the tool reconstructs expected spectra by identifying molecules with similar electronic and structural properties and computing their corresponding spectral features.
This approach enables both signal-level interpretation and molecule-level reconstruction, bridging the gap between raw experimental data and chemically meaningful structural insight.
MID is privacy-respecting by architecture. Uploaded spectra files are processed entirely in memory and discarded immediately after analysis — no spectral data is ever stored on our servers. Your chemical data remains yours at all times.
The problem we solve Why MID exists
Time-consuming interpretation
Interpreting molecular spectra requires extensive expertise and manual cross-referencing between different analytical techniques — a slow, error-prone process.
Fragmented workflows
NMR, IR, and MS data are typically analyzed in separate tools, with no unified framework to combine evidence from multiple techniques simultaneously.
Our solution
MID provides a unified, automated framework for molecular characterization, helping researchers accelerate structure elucidation, reduce ambiguity, and improve reproducibility — for both specialists and non-specialists alike.
The people behind it Our team
MID is being developed by a multidisciplinary team of theoretical and computational chemists and physicists, together with researchers who have extensive experience in experimental molecular structure elucidation using a wide range of spectroscopic techniques.
The full team will be presented here in a future update of the platform.
If you would like to get in touch, please use the contact form. We welcome questions, suggestions, and collaboration inquiries, and we will get back to you as soon as possible.
An evolving platform Current status
MID is now open to all users. Registration is free and no credit card is required. The service is still under active development — we continue to improve accuracy, expand coverage, and add new features based on user feedback.
If you encounter issues, have suggestions, or would like to share feedback, please contact us — we read every message.