Frodo: asdf

2026-07-22T18:47:29Z

asdf

New page

I have prepared some building blocks for retrosynthesis and other applications.

The BB were prepared as follows.

* we got ChemSpace (CS) and Molport (MP), two outstanding building block suppliers who were able to provide sufficient information for us to proceed.
* we break up into price range, 0-50, 50-100, 100-250, 250-500, 500-100 and then fastMADE and MADE.
* we remove molecules where there is less than 1g of stock available, or information is unknown.
* we desalt, canonicalize, and remove duplicates, and remove invalid SMILES.
* anything that fails RDKit kekulization was eliminated
* we begin with CS 0-50 and add MP 0-50 molecules not found in CS 0-50.
* then we add CS 50.1-100 and then MP 50.1-100.
* repeat with 100-250, 250-500, 500-1000, and then fastMADE and then MADE.
* these databases are then indexed in Smallworld and Arthor.
* these databases are also processed for Chemistry Commons.
* the numbers are: max price, total cumulative unique, of which from CS, of which from MP)
* 50, 253,000, 50,000, 200,000
* 100, 200,000, 50,000, 50,000
* 250, 200,000, 50,000, 50,000
* 500, 200,000, 50,000, 50,000
* 1000, 100,000, 50,000, 50,000
* fastMade, 100,000,000, 0, 0
* MADE, 1,000,000,000, 0,0

[[Category:BB]]
[[Category:JJI]]

Building blocks 2026 - Revision history

Frodo: asdf