ZINC20:Getting started

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ZINC20 is the first new version of ZINC in 5 years. It builds on the previous version ZINC15:Getting started. It looks a lot like ZINC15. Behind the scenes, it is designed to be more scalable.

Primary innovation

There are two main features:

  • We now use Smallworld and Arthor for database searching.
  • The database has grown and has been engineered to grow further.

All documentation on this wiki for ZINC15 should apply to ZINC20.

Nerdy details

  • ZINC20 now has a more powerful database behind it (PostgreSQL 12.0 instead of 9.2 in ZINC15).
  • new version of RDKit (2019_3 instead of 2015_3)
  • We now use 1000 database partitions on the substance table to make the database easier to maintain.
  • we have stopped using pre-calculated fingerprints in the database. These still exist (Sep 2020) but we intend that they will go away.