One of the most prevalent applications of computational chemistry is the study of the structure and reactivity of molecules. Results of such studies can improve interpretation of experimental data, as well as stimulate the genesis of innovative experimental ideas. Synthetic chemists do not always possess the necessary tools to perform sophisticated quantum chemical calculations. Moreover, some calculations (e.g. finding transition state structures) can be particularly challenging and time-consuming even for experienced computational chemists.

PrognoMol’s technology considerably reduces the time of quantum chemical calculations by using an automated workflow management system. Our system is highly efficient, utilizing an automated setup, analysis, and processing of quantum chemical calculations. Such an approach is ideal for the analysis of a large quantity of molecules in a short period of time. Fewer employees are needed to get the job done, meaning costs and human error are considerably diminished.