S3: Advances in Cheminformatics

Session 3 Chair: Chris Grulke

Session 3 Chair: Chris Grulke, OpenTox Euro 2016

Chris Grulke began his work in cheminformatics facilitating chemical and assay data deposition and visualization as a member of the research informatics group at Pfizer Global R&D in 2003.

Desiring a better understanding of the scientific potential of cheminformatics techniques, he joined Alexander Tropsha’s Laboratory for Molecular Modeling at the University of North Carolina-Chapel Hill earning a PhD in 2011.

The ChEMBL database

The ChEMBL database: Recent Developments, OpenTox Euro 2016
Francis Atkinson

The ChEMBL database is well known as a source of data on the interactions of drug-like molecules with targets of therapeutic interest and of associated developability data. There is, however, an effort underway to broaden the scope of the database by including, for example, chemical-biology data

Session 3: Chemoinformatics

Session 3: big data in chemistry + informatics = chemoinformatics, OpenTox Euro 2016
Igor V. Tetko

The increasing volume of biomedical data in chemistry and life sciences requires development of new methods and approaches for their analysis. This growth contributes to the increasing size of the market for big data, which currently develops six times faster than the overall IT sector, that itself is the driving force for our Information Age era