Chemical Structure Representation: What Would Dalton Do


22 June 2017

Panel Session


Previous Meetings

Chemical Information and Computer Applications Group previous events on

RSC website

 SCI / RSC-CICAG Workshop on Computational Tools for Drug Discovery

10 April 2019 All scientists working in drug discovery need tools and techniques for handling chemical information. This workshop offered a unique opportunity to try out a range of software packages for themselves with expert tuition in different aspects of pre-clinical drug discovery. The SCI and Chemical Information & Computer Applications Group (CICAG) of the Royal Society of Chemistry organised a one-day meeting entitled Workshopon Computational Tools for Drug Discovery.All software and training materials required for the workshop were provided for attendees to install and run on their own laptops and use for a limited period afterwards.

RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry

15 June 2018 Artificial Intelligence is presently experiencing a renaissance in development of new methods and practical applications to ongoing challenges in Chemistry. We were pleased to announce that the Biological & Medicinal Chemistry Sector (BMCS) and Chemical Information & Computer Applications Group (CICAG) of the Royal Society of Chemistry organised a one-day conference entitled Artificial Intelligence in Chemistry which presented the current efforts in applying these new methods.  We combined aspects of artificial intelligence and deep machine learning methods to applications in chemistry.

Dial-a-Molecule Meeting: Predicting Reaction Outcomes

26 March 2018 This one day meeting, brought  together chemists, engineers, computer scientists, mathematicians and data scientists from both academic and commercial backgrounds to provide a symposium and discussion forum looking at prediction of chemical reaction outcomes through data analysis and acquisition. In particular we aimed to identify the barriers currently preventing us from being able to predict reaction outcomes and to propose next steps.

Chemical Structure Representation: What Would Dalton Do Now?

22 June 2017 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 explored current and future challenges and possible solutions to overcome them.

Cheminformatics for Drug Design: Data, Models and Tools

12 October 2016 Cheminformatics is a dynamic and rapidly evolving field which is at the heart of modern drug design. This meeting allowed medicinal chemists and scientists involved in drug design to meet and discuss the latest developments and best practices. Topics discussed included decision-making using data and models, drug design tools for medicinal chemists, software for sharing ideas and collaboration.

Chemistry on Mobile Devices: Create, Compute, Collaborate

7 September 2016 Mobile devices are now ubiquitous: there are estimated to be over two billion smart phones and tablets in use globally, each with the computing power to handle most of a chemist's needs. The meeting explored the many ways that mobile devices could become the chemist's essential companion, from consuming content to performing computational calculations, from electronic notebooks to devices accessing cloud-based resources, and much more.

Measurement, Information and Innovation: Digital Disruption in the Chemical


20 October 2015 This meeting addressed the challenges, opportunities and issues that arise through the digital transformation of laboratory work. It was organised by two RSC Interest Groups, the Automation and Analytical Management Group (AAMG) and the Chemical Information and Computer Applications Group (CICAG).

From Big Data to Chemical Information

22 April 2015 This meeting explored the problems of data overload, opportunities that large data sets can present, and potential IT solutions to help chemists obtain information and knowledge from data repositories. Files

What's in a Name? The Unsung Heroes of Open Innovation: Nomenclature and


21 October 2014 With the rise of wide-scale participation in open innovation supported by the internet and web, nomenclature and terminology standards are again prime movers in the advance of chemical sciences. Co-sponsored by the RCUK Digital Economy programme, "What's in a Name? The Unsung Heroes of Open Innovation: Nomenclature and Terminology" was a one-day meeting about communication of chemical knowledge, the efficient exchange of ideas, and the way in which computers and the internet can most appropriately advance chemical understanding and innovation. Files

New Developments in Chemical Information: 'Best Practice'

3 July 2013 A one day course for information scientists, librarians, researchers and anyone with an interest in Chemistry consisting of a series of presentations providing an impartial and critical overview of Chemical Information products/services, given by specialists. Files

The Future is Bright, the Future is …

15 May 2012 As existing or future chemical information specialists, we have a unique set of skills. In addition to further our careers, we need to develop our core capabilities, market our services and deliver value to our organisations. This meeting examines the possible directions and opportunities within the information profession, enabling us to identify how we should evolve to meet future challenges. Files

The Future Information Needs of Pharmaceutical and Medicinal Chemistry

28 November 2011 An interesting and thought provoking day where an excellent selection of speakers from the world of chemical information discuss some of the new tools already in use, and their research and thoughts for how the scientist and information professional of the future will utilize pharmaceutical and medicinal chemistry information. Files
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