£35 – £65

Chemical Structure Representation: What would Dalton do now?

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Department of Chemistry

University of Liverpool

Crown Street

Liverpool

L69 7ZD

United Kingdom

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Structure representation, including the electronic storage of structures and reactions to enable effective information searching, retrieval and display, has become more challenging as the number, diversity and complexity of structures which can be elucidated has increased over time. This meeting will explore current and future challenges and possible solutions to overcome them. In addition, subject matter experts will anticipate how developments in these areas will bring opportunities and benefits to research and innovation in the future.

Use of structure representation standards and metadata to exploit new opportunities and examine how chemists and data scientists can work together to ensure capture of information from the outset, e.g. when structures are first published in the literature or proprietary databases, will also be examined.

Presentations will be grouped into the following sessions:

  • Challenging structures and the limits of molecular representation, e.g. extended structures, disordered structures, nano and meta materials, biologicals, polymers, cryo-electron microscopy structures

  • Association of data and metadata with structures and reactions

  • Future opportunities for searching, managing and displaying chemical structure information and associated data

Tours of the new Central Teaching Hub at the University of Liverpool will also be available.

Who should attend?

  • Research students (bursaries available) who use chemical structures

  • Cheminformaticians

  • Researchers working at the chemical/biology interface

  • Chemical information and data managers in industry and academia

  • Those working with complex structural information

  • Providers of chemical data and information management software

  • Chemical information publishers

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Date and Time

Location

Department of Chemistry

University of Liverpool

Crown Street

Liverpool

L69 7ZD

United Kingdom

View Map

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