individuals

51 posts

Greg Landrum

Greg Landrum

Senior Scientist at ETH Zürich

Greg Landrum is a senior scientist in Sereina Riniker’s group at the ETH Zurich, Founder and Managing Director of T5 Informatics GmbH, a Senior Advisor to Knime, and the primary developer for the RDKit. Greg was awarded the Mike Lynch Award in June 2022 by the CSA Trust.

Senior Scientist at ETH Zürich

István Öri

István Öri

Technical Lead at Chemaxon

Experienced Software Engineer with a demonstrated history of working in the industry. Skilled in Java, JavaScript, and formal languages. Strong engineering professional with a Bachelor’s degree focused in Computer Science from Eötvös Loránd Tudományegyetem

Technical Lead at Chemaxon

Gudrun Gygli

Gudrun Gygli

Biochemist, Bioinformatician, and Data Steward

Polyglot European Scientist – compassionate leader and passionate Biochemist, Bioinformatician, and Data Steward

Biochemist, Bioinformatician, and Data Steward

Jan Holst Jensen

Jan Holst Jensen

CEO / Founder at Biochemfusion

More than a decade of client/server programming using Oracle and Delphi. Experienced in C++, Java, Python, JavaScript, HTML5 and PostgreSQL. Incorporated Biochemfusion ApS in 2009. Specialties: Database registration of pharmaceutical compounds, both proteins and small molecules.

CEO / Founder at Biochemfusion

Roger Sayle

Roger Sayle

CEO and FounderCEO NextMove

Specialties: Software Engineering. Cheminformatics. Computational Chemistry. Bioinformatics. Compiler Optimization. Molecular Graphics.

CEO and FounderCEO NextMove

Thomas Doerner

Thomas Doerner

Independent Consultant, Research Informatics

Located at the interface of R&D and Informatics, I am an independent consultant and specialist for research informatics in life sciences and chemistry. Adding critical expert knowledge and an unbiased outside view, I help clients in pharma, biotech, and chemistry define, design, and implement solutions that enable scientists, foster more effective R&D, and lay the foundation to achieve better outcomes faster.

Independent Consultant, Research Informatics

Tony Williams

Tony Williams

Scientist at Center of Computational Toxicology and Exposure at US Environmental Protection Agency

Over the past decade Tony held many responsibilities including: the direction of the development of scientific software applications for spectroscopy and general chemistry, directing marketing efforts, sales and business development collaborations for the company; eight years experience of analytical laboratory leadership and management. Experienced in experimental techniques, implementation of new NMR technologies, walk-up facility management, research and development, manufacturing support and teaching; provided situation analysis, creative solutions and establish good working relationships. Tony has been a prolific author with over two hundred and fifty peer-reviewed scientific publications, 3 patents and many public presentations. He presently work at the Center for Computational Toxicology and Exposure at the US EPA and is focused on developing the CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard).

Scientist at Center of Computational Toxicology and Exposure at US Environmental Protection Agency

Wendy Warr

Wendy Warr

Owner at Wendy Warr & Associates

Dr. Warr is the recipient of the 2020 Herman Skolnik Award of the Chemical Information Division (CINF) of the American Chemical Society (ACS). She is active in ACS CINF and serves on several international scientific committees, including that of the German Chemical Society’s GCC cheminformatics meeting. She has been Chairman of the International Union of Pure and Applied Chemistry’s Committee on Printed and Electronic Publications and has been on the Publications Committee of the Society of Chemical Industry. She served on the Steering Committee of the MDL Software Users Group in the USA and Europe for more than ten years and was a prime mover in the first three of the three-yearly Noordwijkerhout International Conferences on Chemical Structures. She has been involved with the CSA since its inception and is a Trustee of the CSA Trust.

Owner at Wendy Warr & Associates

Carmen Nitsche

Carmen Nitsche

General Manager – CCDC, Inc.

Building on four years in the laboratory, eleven years in the chemical information field, and two years in chemical sales and service, I have spent the last 20 years in business development, database operations management and corporate development, involved in business unit strategy development and execution, and every aspect of strategic partner management, mergers and acquisitions for scientific software and database companies serving the pharmaceutical, chemicals, and academic markets. Throughout these years I have learned much about how companies can leverage a partner ecosystem to advance corporate goals, and I have learned the critical importance of personal relationships and open communication to successful M&A and partnerships. I thrive in a collaborative team environment and value my relationships with my customers and my partners.

General Manager – CCDC, Inc.

Hinnerk Rey

Hinnerk Rey

Cheminformatics Analyst at Elsevier Information Systems GmbH

Chemist with knowledge in computer science and several years experience in the field of Organic Chemistry. Currently working at Elsevier Information Systems GmbH developing new products and tools in the space of Chemistry and Life Science for real world challenges. Always keen to hear about new ideas and opportunities that will lead to a deeper understanding of natural language processing and cognitive science, and contribute to society at large.

Cheminformatics Analyst at Elsevier Information Systems GmbH

Chris Jakober

Chris Jakober

Air Pollution Specialist at CARB, Graduate Instructor at JHU

Self-motivated environmental chemist with 20+ years of experience in multidisciplinary research within academia, government, and private-sector settings. Brings a Midwestern work ethic and efficient problem-solving skills to a variety of work atmospheres and group dynamics in the fields of air quality, applied chemistry, chemical/laboratory safety, and climate science. Excellent communication skills honed by extensive technical writing and public-speaking.

Air Pollution Specialist at CARB, Graduate Instructor at JHU

Jeremy Frey

Jeremy Frey

Head Computational Systems Chemistry, University of Southampton

Physical and Digital Chemist. Jeremy is an enthusiastic supporter of interdisciplinary research, combining theory, computation and experiment within chemistry, and though the e-Science programme growing this to the wider computational and computing community together with industrial research. Most recently his role in the Digital Economy programme through the IT as a Utility Network challenge area, addressed the full breadth of interdisciplinary research connecting social, physical, and life sciences in a trans-sectorial context bridging academic, commercial, and governmental areas.

Head Computational Systems Chemistry, University of Southampton

Marc C. Nicklaus

Marc C. Nicklaus

Senior Scientist at National Cancer Institute (NCI)

I am an applied physicist who did graduate research in the area of electron interferometry. I also was interested in, and had training in, computer science starting from before my undergraduate days. This computational track led me to enter the field of molecular modeling as part of my postdoctoral work. Expanding the scope of my work to all aspects of chemical information, I am currently heading the Computer-Aided Drug Design (CADD) Group at the National Cancer Institute (NCI).

Senior Scientist at National Cancer Institute (NCI)