AB3

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.