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Wednesday 17 Oct

Starts at 09:00

09:00 - 11:00

Chair: Harry Collier, Infonortics, UK

Opening Patent Chemistry to the Scientific Community

Chemistry and biology researchers rely on three main sources of online data: journals, public databases and patents. Historically patent data has not been systemically integrated with journals or public databases, with only sporadic links between the three data sources, and almost no linking by chemical structure. SureChemOpen addresses this by offering free access to its patent chemistry database covering US, EP and WO patents, and linking these to public and proprietary data sources, including ChemSpider and Royal Society of Chemistry Journals. This presentation will focus on our efforts to widen access to patent chemistry and fully integrate this key resource into the online research community.

The IBM Patent Data Donation to NIH, and its Integration in the NCI/CADD Database and Web Services


In late 2011, IBM donated about 2.5 million structures - all molecules extracted from patent documents and Medline through the year 2000 - to NIH.  The data were deposited both to PubChem at NCBI, NLM, NIH, and to the CADD Group at NCI, NIH. These data contain a Document ID (Patent number or PubMed ID), the SMILES and InChIKey of the molecule, an IBM Structure ID, a Class Code denoting whether the structure has been identified as a whole molecule, a fragment, a Markush scaffold etc., an IBM URL pointing to an IBM web page for this entry, and location information indicating in which part of the patent (Abstract, Title, Body, or Claims) the structure occurred.  We present our analysis of the contents of this data set, the overlap with other databases collected by the NCI/CADD Group, and the integration of the IBM data in the NCI/CADD Group's web services.

A View of Recent Computer Aided Synthesis Developments

This presentation will cover the developments in computer aided synthesis since its inception in various guises starting in the 1970s.  Reasons for the popularity, or the opposite, amongst potential users during the early days will be compared with reasons for the renewed interest amongst developers and users in recent years, including computer power, database sophistication, ease of data abstraction, and a new population of chemists.  The lecture will describe the background of various current software offerings, and outline worked examples, including from the collaborative work on InfoChem’s ICSynth with AstraZeneca chemists.


10:30 - 11:00

Exhibition and Networking Break

11:40 - 13:00

Chair: Christoph Haxel, Dr. Haxel CEM, Austria

Enhancing the User Experience for Wiley Chemistry Content

A John Wiley & Sons presentation to showcase the latest developments in enhanced user experience for the chemist. The Wiley team will give a demonstration of a recent technical project undertaken by the chemistry teams at Wiley to add substantial functionality and enhanced chemical content to selected organic chemistry journals, reference works and databases.  

This project has created new tools that open up Wiley organic chemistry content reducing the borders between articles and across different content sources. Key chemical and physical information such as spectral data is linked to structures in the article and reference information from other works whether at an article or data level is cross linked to each organic chemistry journal article. The new tools create a de facto workflow tool which will allow chemists to work more rapidly through chemical information. This could mean creating and viewing a chemical summary of article content or searching via structure or reaction allowing chemists to retrieve chemical data quickly and easily across journals and other works in the project.

Social Design, Cloud Computing, Crowd Sourcing and the Patent Information Industry

                                                               Link to the presentation in slideshare as pdf


The rise of social networks has changed entire industries in the past five years, quite unlike anything before. Soon more than a billion people will be registered on Facebook. More than 200 million tweets are sent every day. By comparison, the entire number of legal status updates collected by the EPO is 90 million - per year!

Arne Krüger, aka@herrkrueger, has identified three main reasons for this development. First, the ongoing socializing of objects and places, with transparent reads, likes, comments and shares. Second, the cloud technology available to handle Big Data in ways never experienced before and third, the usability and design of available social applications.

These three phenomena have enabled more and more people to form large groups on the internet ridiculously easy and allows these groups to communicate and work together on common projects. In the wake of these developments, many new so-called crowd sourcing platforms have become established.

In this disruptive and entertaining speech, social networks are related to the patent information industry, using the example of espacenet, and the world of socalized patent information will get revealed.