Automated Structure Verification by Advanced Chemistry Development, Inc., (ACD/Labs)

Chemical structure verification by NMR is one of the fundamental practices in synthetic chemistry. From the synthetic chemist all the way to the expert NMR spectroscopist, structure verification is an important part – and frequently a bottleneck in the organizational workflow. ACD/Labs Automated Structure Verification (ASV) system effectively reduces this bottleneck by automating the process of assessing the fit between proposed structure and experimental data. Our system’s ultimate goal is to automate analysis of simple cases, and identify a manageable subset of compounds that require additional review.