Molecular Networks (MN-AM) is a software and knowledge development company specialised in the areas of chemoinformatics and computational toxicology. The international team of scientists is headed by Dr. Chris Barber, CEO of Lhasa Limited and managing director of Molecular Networks GmbH Altamira LLC (MN-AM). Established in 1997, the company has also a long tradition and strong expertise in the application of machine learning and artificial intelligence methods and approaches to chemical and pharmaceutical R&D challenges including toxicity and metabolism prediction and profiling, calculation of physical, chemical, physicochemical, and biological properties, QSA/PR modelling, as well as the modelling of chemical reactivity. Since 1998, the technology and knowhow of MN-AM is utilised worldwide in major industrial, governmental, and academic discovery labs as well as in regulatory agencies to design and optimise chemical products and to support chemical safety and risk assessment. The product portfolio of MN-AM comprises software and database applications in computational toxicology and chemoinformatics, such as the ChemTunes·ToxGPS® platform for chemical safety assessment or CORINA Classic, the de facto industry standard for 3D structure generation. Machine learning and AI-based approaches have been standard methods at MN-AM for decades. MN-AM also supports and contributes to the development and dissemination of public resources, including the COSMOS database/COSMOS NG platform, the ToxPrint chemotypes, and the ChemoTyper/Chemotype Editor applications.