Compound identification AI Agent

Spectra by ROMBO is a specialized agent designed for compound identification from Nuclear Magnetic Resonance (NMR) spectrum data. Key capabilities include: * Interpret unfamiliar spectra without strict library matches * Generate useful results with traceable evidence * Analyze spectra quickly through a dedicated platform * Integrate capabilities into existing scientific workflows * Reduce reliance on manual interpretation This platform helps researchers and laboratories quickly process raw 1H and 13C data from various instruments like Bruker, JEOL, Varian, or JCAMP-DX. It retrieves plausible structures from large-scale compound libraries and ranks them using advanced models. A crucial step involves validating candidates against physics by comparing predicted and measured shifts, ensuring only data-supported structures are considered. Spectra by ROMBO allows users to review the evidence shift by shift, facilitating confirmation of known compounds, dereplication of mixtures, or flagging of unknowns. This enables a deeper understanding of molecular identity beyond simple spectral matching. Ideal for chemists, research scientists, and lab teams who need accurate and efficient compound identification, especially for novel or complex substances. It streamlines the analytical process, enhancing productivity and reliability in chemical and pharmaceutical research.