Chemistry Data for Systems Thinkers

Presented by

Paul Dockerty

About this talk

Systems thinking has become an essential part of modern medicinal chemistry and new drug development (1). Dealing with the increasing data volumes, information silos and low interoperability has become one of the biggest challenges to medicinal chemists when trying to take a holistic approach to identify the interactions and hidden connections within the organelles, cells, tissues, organisms. Often, we wonder: “Am I seeing the big picture without losing insight of the details?” In this webinar, we will discuss how to take a system approach to create new chemistry knowledge, to translate knowledge into useful applications and finally to be ready to face the unfolding world crises (2). The topics include - Systematic integration of biological and chemical data; - AI-ready data for synthesis route design and prediction; - Three practical examples using system thinking examples, including 1. digitalization of chemistry knowledge in pharmaceutical industry, 2. responding to COVID-19 pandemic using conscientious data excerption from literature, 3. data readiness in green chemistry to support sustainability. Change management and education are inevitably critical to pursuing systems thinking approach, therefore we will talk about some best practices for pharmaceutical industry and educational system based on our learning's from the collaborative projects. (1) Systems Thinking for Medicinal Chemists, Jacobs Journal of Medicinal Chemistry, 2015, I (1),004 (2) One-world chemistry and systems thinking, Nature Chemistry, 2016, 8, 393–398 Paul Dockerty, PhD, is a Customer Engagement Manager in the Professional Services group at Elsevier, now responsible for supporting pharmaceutical customers in their digitalization journey. He is passionate about using data as a leverage to fight the natural resistance to change in digital transformations.

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