Smallworld Databases

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This page details the databases on Smallworld

Smallworld slides/presentations <--- very good, more detailed overview of how the technology works <--- random slides i found not that interesting

Smallworld Databases

Tables of the five smallworld instances running on abacus.

Database Description (Always latest version available, shows number when available)
ChemSpace-SC-Stock-Mar2022 Screening compounds sold by ChemSpace.
In-Stock-2020Q2-13.8M.anon All ZINC in stock compounds.
Informer-Set-22Q3-4M The ZINC "informer set" (compounds that can be purchased quickly, within a week or so).
Mcule-22Q1-8.7M Mcule screening compounds.
Mcule-Full-22Q1-56M Mcule, all compounds
Mcule-V-22Q1-47M Mcule, make-on-demand.
MculeUltimate_20Q2_126M Mcule "Ultimate" library.
REAL-Database-22Q1-4.5B Enamine REAL database. (publicly available)
Wait-OK-2020Q2-1.2B.anon ZINC compounds, in stock combined with make-on-demand.
WuXi-20Q4-2.2B WuXi compounds, almost all make-on-demand.
ZINC-All-2020Q2-1.46B.anon All compounds in ZINC20, including annotated only (not purchasable) compounds.
ZINC-Interesting-2020Q2-300K.anon Drugs, bioactive, natural products, biogenic, or otherwise annotated for activity.

Database Description (version, number of molecules)
Chembridge On Demand 23Q4 22B
Macrocycles Make on Demand 23Q4. 9.9K
REAL-Space-22Q1-21B Enamine private library
zinc22-All ZINC-22

Database Description
ChemSpace-BB-Stock-Mar2022 Building blocks for sale from ChemSpace
BB-All-2020Q2-26.7M.anon ZINC20 Building blocks for sale
BB-Now-2020Q2-1.6M.anon ZINC20 Building blocks for rapid delivery (in-stock).
Mcule stock BB 23Q1 3.5M can't be true, but try ordering and let us know
Mcule-BB-22Q1-2.1M Mcule building blocks

Database Description
el2_22Q1_290K Ellman library 2. isoquinuclidines
y1-22Q3-57M Damien Young library #1, substituted piperidines.