The program system MOLGEN is devoted to generating all structures (connectivity isomers, constitutions) that correspond to a given molecular formula, with optional further restrictions, e.g. presence or absence of particular substructures. The project arose in 1985 from the idea to provide an efficient and portable tool for molecular structure elucidation in chemical industry, research, and education.
Having now more than 20 years of experience, we can offer several products:
- We provide one of the fastest generators of molecular structures, MOLGEN 3.5.
- However, applications showed that generator efficiency is not the only important topic for molecular structure elucidation. Thus we offer embedded generators with a much more flexible interface in the MOLGEN 4 series: MOLGEN-MS and MOLGEN-QSPR. Advanced restrictions can be passed to the generator that are obtained from spectroscopy and the generated results can be used directly within QSPR/QSAR studies.
- Our latest development, MOLGEN 5.0 is intended to combine the advantages of the previous approaches, i.e.the efficiency of MOLGEN 3.5 and the flexibility of the MOLGEN 4 series.