About us
about us

Mission Statement

Inspiring Chemical Discovery — Navigating Chemical Safety — Empowering Knowledge

Molecular Networks GmbH and Altamira, LLC offer innovative chemoinformatics software products, consulting, development and research services to increase the quality and productivity of discoveries in chemical, pharmaceutical and biotechnology R&D.

Molecular Networks GmbH

Molecular Networks GmbH provides multifaceted, innovative software to the chemical, biotechnology and pharmaceutical industry. The company's core strength and expertise is chemoinformatics with a focus on applications for in silico profiling, evaluating and assessing chemical compounds and finding new chemical entities.

Founded in 1997, headquartered in Erlangen until end of 2016, now in Nürnberg, Germany, Molecular Networks' technology is utilized worldwide in major industrial and academic research and discovery laboratories to design and optimize chemical products and processes. Molecular Networks' product portfolio comprises a variety of software tools, databases and decision support systems in the area of in silico modeling and prediction of chemical, physical and biological properties of chemical compounds including their chemical reactivity and metabolic or environmental fate.

Molecular Networks provides maintenance and support and actively further develops its products.

Molecular Networks is also available as an experienced partner to develop custom-designed chemoinformatics solutions suited to the partner's specific needs and offers its unique expertise and technology to analyze and model proprietary chemical and biological data.

Altamira, LLC

Members of Altamira, LLC share expertise in molecular informatics, chemometrics, computational modeling and analysis and statistical design of experiments. The two founders also provide many years of expertise in nano-structured materials and interfacial meso-scale modeling:

Chihae Yang, Ph.D.

  • CEO and owner, Molecular Networks GmbH
  • Co-founder of Altamira LLC
  • Adjunct Professor at Ohio State University
  • Visiting Scientist and consultant, US FDA CFSAN
  • Previous:
    • ORISE Fellow, US FDA CFSAN (2008-2011)
    • Chief Science Officer, Leadscope Inc. (2000-2008)
    • Associate Professor of Chemistry, Otterbein College (1992-2000)
    • Senior Scientist, Clorox Company (1984-1992)

James F. Rathman, Ph.D.

  • Managing Director and Co-founder, Altamira LLC
  • Professor of Chemical and Biomolecular Engineering, Ohio State University
  • Previous:
    • Senior Scientist, Clorox Company (1987-1991)
    • Research Scientist, Conoco Inc. (1979-1981)


Dr. Chihae Yang is owner and Managing Director of Molecular Networks GmbH and co-founder and Manager of Altamira LLC. She was a visiting scientist at US FDA CFSAN and a fellow in the computational toxicology program (2008–2011), and continues to be an active member of the CERES (Chemical Evaluation and Risk Estimation System) team at CFSAN. She has designed and developed public ToxPrint chemotypes and co-developed a new structure knowledge exchange language (Chemical Subgraph and Reaction Mark-up Language) and public ChemoTyper software with Molecular Networks. She is now leading an effort between Altamira and Molecular Networks to develop a chemoinformatics database and prediction system (models and structure knowledge).

As Chief Scientific Officer of Leadscope, Inc., she developed Leadscope’s predictive toxicology platform and QSAR methodology (2000-2008). She also established the LIST focus group with grants from the US NIST Advanced Technology Program, developed and delivered ToxML, a public toxicity database standard, and developed a ToxML database entry tool in collaboration with the US FDA. Previously, Dr. Yang was a tenured chemistry professor at Otterbein University (1993-2000) and she currently holds an appointment as a visiting professor at the Ohio State University. She worked at the Clorox Company (1984-1992) where she incorporated computational methods into product discovery and development workflows.

Founder of the Company Molecular Networks GmbH

Prof. Johann Gasteiger: Founder of Molecular Networks and Professor emeritus of Chemistry at the University of Erlangen-Nuremberg, Germany

Prof. Gasteiger, founder of Molecular Networks has more than 25 years experiences in the field of Computer-Chemistry and Chemoinformatics. Johann (Johnny) Gasteiger studied chemistry at the University of Munich, ETH and the University of Zürich and received his Ph.D. in Organic Chemistry from the University of Munich in 1971. Following a postdoctoral fellowship in Quantum Chemistry at the University of California in Berkeley in 1971-72, Johnny Gasteiger taught at the Technical University of Munich. In 1994 he moved to the University of Erlangen-Nuremberg where he co-founded the "Computer-Chemie-Centrum". His research interests are in the development of software for drug design, simulation of chemical reactions, organic synthesis design, simulation of spectra, and chemical information processing by neural networks and genetic algorithms.

In 1991, Johnny Gasteiger was awarded the Gmelin-Beilstein Medal of the German Chemical Society for Achievements in Computer Chemistry, in 1997 he received the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society, in 2005 he was the recipient of the Mike Lynch CSA Trust Award, and in 2006 he received the "ACS Award for Computers in Chemical and Pharmaceutical Research" of the division "Computers in Chemistry" of the American Chemical Society.