(Chem)Informatics

The field of chemistry that integrates chemical data with analytic and molecular design tools finding the 'best- fitting' compounds to address particular targets; cheminformatics encompasses diversity analysis and library design, virtual screening, rational drug design, and tools and approaches for predicting activity and other properties from structure

Laboratory of Medicinal Chemistry University of Antwerp (UAMC)

Prof. H. De Winter

UAMC has extensive chemoinformatics expertise to help our partners solve various questions in the following domains:

  • docking and pharmacophore modeling [hit identification]
  • virtual high-throughput screening [hit identification]
  • post-screening analysis [outlier detection and post-data analysis]
  • characterisation, clustering, selection and acquisition of compound libraries
  • development of chemistry-aware custom-made IT-applications

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