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Recorded Webinar: Transformative Insights from your Data in CDD Vault with Cerella’s Unique AI 
3D maximum common substructure 
Molecular orbital diagrams with AMSlevels (video tip of the week) 
Useful package for virtual screening #chemoinformatics #RDKit 
2022 Tom Ziegler award for Prof. Christopher Rowley 
CDD Vault Update (June 2022): New expanded CDD Interface, and Visualization Now Supports Dates and the Ability to Easily Color Code the Data Table 
Upcoming Webinar: Transformative Insights from your CDD Vault with Cerella’s Unique AI, June 21, 2022 
AMS GUI: How to use ‘Tune Geometry’ (video tip of the week) 
Variability of PMI descriptors 
Recorded Webinar: COVID Moonshot — A Collaborative Approach to Antiviral Discovery 
Fundamental Insights in Novel Graphene-Glassy Carbon Hybrid Materials with ReaxFF 
AMS MD: Calculating viscosity with the Green-Kubo relation (video tip of the week) 
Call RDKit from Rust with conda env ver2 #RDKit #RDKit-sys #Rust #Chemoinformatics 
Generate molecules with Link-invent #RDKit #RINVENT #chemoinformatics 
Call RDKit from Rust with conda env #RDKit #Rust #Chemoinformatics 
Run python script in html_file #memo #cording 
The number of unique fingerprint bits 
Some thoughts on refactoring the MolDraw2D code 
Drug Discovery Industry Roundup with Barry Bunin — June 3, 2022