AB3: Difference between revisions
Jump to navigation
Jump to search
(asdf) |
No edit summary |
||
| Line 2: | Line 2: | ||
== interactive tool == | == interactive tool == | ||
Currently available internally only at n-9-38:5000 | |||
This tool allows you to | This tool allows you to | ||
| Line 10: | Line 10: | ||
== asynchronous tool == | == asynchronous tool == | ||
Currently available internally via tldr via the a3b tool. | |||
This tools allows you to determine which reactions could produce your target compound. | This tools allows you to determine which reactions could produce your target compound. | ||
Revision as of 18:08, 1 November 2022
Analog By Building Block (AB3) has two different implementations.
interactive tool
Currently available internally only at n-9-38:5000
This tool allows you to
- figure out what reactions can produce a target molecule
- figure out how many analogs of each synthon are commercially available
- build a trial library of analogs
asynchronous tool
Currently available internally via tldr via the a3b tool.
This tools allows you to determine which reactions could produce your target compound.
- it lists available building blocks at various purchasabilities and allows you to select which ones you want to use.
- it allows you to generate a library.
The final library can be downloaded. Alternately, you may route it for
- ZINC ID
- tranching
- 3D building
- distribution (FTP etc)
- arthor and smallworld indexing
You may also route the new library for novelty analysis property characterization etc.