ACS Spring 2023 – American Chemical Society
ACS Spring Meeting is one of the biggest and most important chemistry conferences, taking place in Toronto, Canada from 26–30 March. This multi-day event features symposia, plenary lectures, awards sessions, and much more to connect professionals in the field. Don’t miss out on this amazing opportunity to learn, network, and make a difference in the field of chemistry.
Applying structural chemistry knowledge using the CSD Python API
Date/Time: 26th March,10:35 AM – 10:55 AM (local time)
Presenter: Ian Bruno, Director of Data Initiatives at CCDC
Abstract: The Cambridge Structural Database (CSD) is a treasure trove of knowledge relevant to the design of new molecules and the development of chemical products. The CSD Python Application Programming Interface (API) provides a pathway for systematic access to that knowledge and its application within wider workflows. This presentation will provide an overview of the modules of the CSD Python API covering search of 3D structural chemistry data, analysis of molecular conformations and interactions, docking and screening tools that aid drug discovery, assessment of solid form stability, and insights into surface and particle properties. We will also highlight opportunities for the future development of the CSD Python API to further enable the application of structural chemistry data and knowledge across domains.
Session: Chemistry Database Application Programming Interfaces (APIs): Available databases, workflows, and use-cases
Demonstration of APIs for chemists
Date/Time: 26th March, 3:45 PM – 5:15 PM (local time)
Presenter: Ian Bruno, Director of Data Initiatives at CCDC
Session: Chemistry Database Application Programming Interfaces (APIs): Available Databases, Workflows, and Use-Cases
Guidance on FAIR chemical data reporting
Date/Time: 27th March, 8:35 AM – 8:55 AM (local time)
Presenter: Ian Bruno, Director of Data Initiatives at CCDC, and Leah McEwen
Session: Advancing FAIR Chemistry: Developing New Services for Sharing Chemical Data