Chemaxon was established in 1998 by Ferenc Csizmadia and Péter Csizmadia with a focus on chemical informatics and software development. Initially providing consulting services, the company soon transitioned to product development, collaborating with universities and research institutions. In 1999, Chemaxon released Marvin, its first software product, a molecular visualization and editing tool. This was followed by JChem Technology in 2000, which integrated cheminformatics capabilities into database management systems. By the early 2000s, Chemaxon expanded internationally, establishing offices in
Cambridge (US),
San Diego,
Basel, and
Prague. In 2004, the company introduced a free academic license for its software, supporting research and education. In 2024, Chemaxon was acquired by Certara, Inc. to strengthen Certara's drug discovery software portfolio. The acquisition was completed on October 2, 2024. == Products ==