Monday 20 September 2021 – Wednesday 22 September 2021

We're speaking at Bio-IT 2021! For 20 years, Bio-IT World has connected the people, ideas and opportunities of the life science industry to accelerate R&D and drive the future of medicine. The 20th annual event will highlight how far we’ve come, celebrate new victories and shed light on what’s next for biomedical research, drug discovery and development and healthcare.


Learning from a Million Small Molecule Crystal Structures

Speaker: Jeff Lengyel, CCDC Applications and Research Scientist

Date: Tuesday, Sept. 21, 2021 @ 5:05 PM EDT

The Cambridge Structural Database (CSD) contains >1 million experimentally determined, expertly curated, small-molecule crystal structures. These structures have been collected from >400,000 authors over the last 55 years, resulting in a diverse dataset. These features make the CSD attractive for machine learning methods that benefit from large datasets. This talk will highlight some ways our researchers have utilized this structural data to gain insights in chemistry, biochemistry, and materials science.

This presentation will be part of Track 7, the Data Science and Analytics Technologies track. It will include 25 min. of presentation followed by 5 min. of live Q&A.

#BioIT21

Learn more about the Track 7 presentations.

Register on the Bio-IT website.