Structure-activity data analysis and visualisation

Exploratory data analysis and visualisation applied to structure-activity relationships: A medicinal chemistry perspective

© iStockphoto

This webinar is available to view now - please click 'register' to access the video.

We were joined by an expert from PerkinElmer, who demonstrated how interactive visualizations and data analysis can help medicinal chemists to explore SAR data and extract hidden structure-activity patterns.

By watching this video, we hope you will be able to:

  • See how data analytics can help extract additional value from SAR data
  • Correlate chemistry & biological activity
  • Use data visualization to understand compound selectivity


Ismail Ijjaali

© Perkin Elmer

Ismail Ijjaali, Perkin Elmer

Ismail Ijjaali received his Ph.D. in chemistry from Henri-Poincaré University, Nancy, France. After his post-doctoral fellowship at Northwestern University Chicago and a diploma in Computational Chemistry, Ismail spent 8 years at Aureus Sciences (now part of Elsevier) where he was involved in consulting activities for their chemical/biological knowledge databases and managing several funded European projects in drug discovery. Ismail joined PerkinElmer in 2012 as part of the European Regional Marketing team working on Chemistry Enterprise solutions and Analytics.

Perkin Elmer

© Perkin Elmer

About PerkinElmer

PerkinElmer Informatics delivers software and services globally for research, discovery, analysis and collaboration across multiple industries.  PerkinElmer’s Ensemble solution, with the TIBCO Spotfire platform, supports crucial informatics activities for scientific research and development applications. Informatics products include ChemBioOffice, ChemDraw, E-Notebook and LES systems for knowledge management and integrated laboratory systems.


Benjamin Valsler, Chemistry World magazine 

Ben is the online and multimedia editor of Chemistry World magazine, producing video and podcasts to accompany the magazine and website.

Prior to joining the Royal Society of Chemistry, he was the producer of the award-winning Naked Scientists, making local and national radio programmes for the BBC, the Australian Broadcasting Corporation and Primedia in South Africa. He also made podcasts for the Science and Technology Facilities Council, the Wellcome Trust and the Engineering and Physical Sciences Research Council, as well as working closely with Rolls Royce to promote materials science.

Outside of the RSC, Ben delivers workshops on science communication, gives talks on the science in comics and is a keen photographer.


Related Content

Chemistry analysis and dashboards for interactive data access in TIBCO Spotfire

8 December 2015 Webinars

news image

See how you can quickly analyse your chemistry data and associate structures with biological information

Notebooks go digital

22 May 2013 Review

news image

Electronic lab notebooks are growing in popularity across chemistry. Anthony King looks at what’s on the market

Most Commented

Chlorinated compounds form in tea and coffee

24 November 2015 Research

news image

Treated water reacts with organics to form disinfection byproducts

Brazilian mine disaster releases dangerous metals

21 November 2015 News and Analysis

news image

Irreversible negative human health and environmental effects could result from Brazilian mine’s dam collapse