Cheminformatics Companies

This initial medicinal chemistry ELN was followed into the market by products such as the Arthur suite from Synthematix and the iELN system from Intellichem (both since acquired by Symyx), which were more oriented at reaction planning and process chemistry. The heavyweight of the traditional cheminformatics companies, Elsevier MDL, also released a system, called Elan, which combined a Word-based front end with their well-known ISIS chemical technology on the back end (Fig. 9.3). 

Cheminformatics, Johnson Johnson, Pharmaceutical Research Development, L.L.C., San Diego, California, USA Brett R. Beno Computer Aided Drug Design, Pharmaceutical Research Institute, Bristol-Myers Squibb Company, Princeton, New Jersey, USA Curt Breneman Department of Chemistry, Rensselaer Polytechnic Institute, Troy, New York, USA... 

David Cummins is Principal Research Scientist at Eli Lilly and Company. His interests are in nonparametric regression, exploratory data analysis, simulation, predictive inference, machine learning, model selection, cheminformatics, genomics, proteomics, and metabonomics. 

Although many people are working in the field of Cheminformatics (Cl) and a lot of exciting scientific papers are published year by year, there is no clear, commonly accepted definition. It starts with the discussion whether this discipline is called cheminformatics or chemoinformatics —to avoid any conflicts we will use the term Cl from now—and ends with every pharmaceutical company interpreting Cl differently depending on where it fits best in their drug discovery process. 

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