15th Annual Pharmaceutical IT Congress

September 2017

September 27-28, 2017
London, UK

As a returning exhibitor at the Pharmaceutical IT Congress, we compiled a hypothetical study for the poster session that aims to evaluate a software platform coping with the complexity of small molecule design (Marvin Live). The tool provides central management for innovative ideas and a framework to help track them. Decision support is based on predicted properties that:

  • span phys-chem descriptors
  • combine metrics like CNS MPO score
  • use 3D overlay and modelling results conducted with KNIME
  • and cross-check with available knowledge – i.e. collected from a variety of sources with rapid freedom to operate analysis and SAR by catalog, with ultra-fast searching of patent and compound catalog databases.

The study shows the potential evolution of a compound idea from a reference compound, to a synthesis candidate, through an example discovery project of 5-hydroxytryptamine receptor 6 (HTR6) ligands.

About the conference

Over 200 attendees representing global pharmaceutical organisations, leading biotech companies and internationally renowned academic institutions. Over 40 presentations and case studies focusing on the key developments in Big Data and analytics, lab informatics, collaboration, digital health, wearable technologies, blockchain technology, lab automation and challenges in data privacy.

Including 4 interactive streams:

  • Getting The Most Out Of Big Data In R&D IT
  • Translational Science and Medicine
  • Data Management, Real-World Evidence & Real-World Data
  • IT Solutions

Meet us at the Annual Pharmaceutical IT Congress #booth 13.