.png?width=100&height=100&name=Jeremy%20(2).png)
In a recent article published in Pharmaphorum, we explore how cheminformatics is shaping the future of pharmaceutical innovation.
Cheminformatics can be defined as the use of computers to organise, manipulate, and transform chemical data into meaningful information. It is a discipline positioned on the interface of chemistry, computer science, and data science. Examples of techniques that commonly fall under the cheminformatics umbrella include storage and organisation of chemical information, structure-property predictions, virtual screening methods, similarity structural analysis, and the design of chemical compounds and libraries.
The term was first used in literature in 1998 by Frank Brown, however, the use of chemical informatic techniques has been traced back to publications from the late 1950s before the field was officially named. Work in the 1960s gave rise to chemical information storage and handling methods, followed by the introduction of quantitative structure-activity/property relationships (QSAR/QSPR), and pattern recognition.
Where traditional chemistry consists of in vitro experiments, cheminformatics research is conducted primarily in silico. Although both traditional chemistry and cheminformatics are based on chemistry concepts, cheminformatics applies software and algorithms to manipulate these in order to obtain results and predictions that may not otherwise be possible.
The full article goes beyond definitions, offering insights into how Cheminformatics is transforming modern chemistry - particularly in drug discovery, data-driven innovation, and intellectual property strategy. With advances in AI, machine learning, and open-access data, the future of cheminformatics promises faster, more predictive science.
You can read the full article on Pharmaphorum here.
About the authors
As part of our ongoing research into the field of Cheminformatics, this collaborative article was led by Mewburn Ellis Chemistry Intern Amelia Stennett. Contributors include: Camille Terfve, Jeremy Webster, Jonathan Wills and Matthew Smith.
Camille is a Partner and Patent Attorney at Mewburn Ellis. She does patent work in the life sciences sector, with a particular focus on bioinformatics/computational biology, precision medicine, medical devices and bioengineering. Camille has a PhD from the University of Cambridge and the EMBL-European Bioinformatics Institute. Her PhD research focused on the combined analysis of various sources of high-content data to reverse engineer healthy and diseased cellular signalling networks, and the effects of drugs on these networks. Prior to that, she completed a Master’s degree in Bioengineering at the University of Brussels and a Masters in Computational Biology at the University of Cambridge.
Email: camille.terfve@mewburn.com
Jeremy has over 20 years’ experience in chemistry and materials science patents, with a focus on polymers, composites and advanced materials, as well as consumer products. He has an enviable success rate with opposition and appeals and regularly represents clients at oral proceedings before the EPO. He provides early input to help ensure that appropriate and persuasive data is presented and works with a wide range of clients on invention capture and filing strategy, as well as driving efficiency and adding value in strategic portfolio management. Jeremy heads up the firm’s Chemistry practice group and is a member of our Management Board.
Email: jeremy.webster@mewburn.com
Jonathan is a Partner and Patent Attorney at Mewburn Ellis. Jonathan’s work is focussed on advanced materials and biologically active agents for medical and agricultural uses. He has extensive experience of drafting and prosecution, global portfolio management and invention capture. Jonathan is also actively involved in European opposition and appeal proceedings, with major projects defending chemical patents.
Email: jonathan.wills@mewburn.com
Amelia Stennett
Amelia was a Chemistry intern at Mewburn Ellis. She worked on various projects including research for Cheminformatics.
