This video covers the Web-Based Combinatorial Library Enumerator in MOE.
0:29 Launching the CLE
0:40 Browsing existing reactions
1:20 Loading a quinazoline dione scaffold
1:30 Sketching a reaction
2:18 Specifying reagent libraries
2:30 Previewing Reagents and Products
2:53 Refining the reaction
3:45 Using the Query Annotation panel
4:45 Adding Filters
6:03 Removing reagents with undesirable chemical groups
7:27 Using the Ambiguity Filters
8:30 Performing a substructure search
9:44 Exporting Reagents and Products
10:20 Multi-component combinatorial reactions
__________________________________________________________________________________________________
Subscribe to our YouTube channel for updates: https://bit.ly/3ICXK0W
Visit CCG at https://www.chemcomp.com/
Listen to our podcast: https://bit.ly/3WQGPKY
Follow us on LinkedIn: https://www.linkedin.com/company/chemical-computing-group/ X: https://twitter.com/CCG_MOE/
Download
0 formats
No download links available.
CLE: An Interactive Web-Based Combinatorial Library Enumerator | NatokHD