View source for ZINC22:Getting started

ZINC22 is a complete redesign of ZINC. It will become available by 2022. 

The key features of ZINC22 are
* molecules are assigned to fine tranches before loading.  A fine tranche is a slice of physical-chemical property space based on two properties: the number of heavy atoms (HAC) and calculated logP.
* each fine tranche is loaded into a separate database where it is normalized and assigned a ZINC ID.
* each fine tranche is processed independently into 3D molecules. It is this independence that makes ZINC22 more scalable than ZINC15/20. 
* fine tranches are combined to create the entire ZINC22 database
* molecules are index by Smallworld and searchable by whole molecule similarity using Graph-Edit Distance (GED).
* molecules are also indexed by Arthor and searchable by substructure and patterns (SMARTS). 
* molecules are downloadable from files22.docking.org

[[Category:ZINC22]]