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== Introduction == | == Introduction == | ||
This page | This page details the databases on Smallworld and Arthor. | ||
{{TOCright}} | |||
== Smallworld Databases == | == Smallworld Databases == |
Revision as of 22:26, 12 April 2023
Introduction
This page details the databases on Smallworld and Arthor.
Smallworld Databases
Tables of the five smallworld instances running on abacus.
sw.docking.org
Database | Description (Always latest version available, shows number when available) |
---|---|
BB-All-2020Q2-26.7M.anon | All building blocks in ZINC. |
BB-Now-2020Q2-1.6M.anon | All in-stock building blocks. |
ChemSpace-BB-Stock-Mar2022 | Building blocks sold by ChemSpace from stock. |
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-BB-22Q1-2.1M | Building blocks sold by Mcule |
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. |
swp.docking.org
Database | Description (version, number of molecules) |
---|---|
el2_22Q1_290K | Ellman library 2 - isoquinuclidines |
REAL-Space-22Q1-21B | Enamine private library - password protected. |
y1-22Q3-57M | Damien Young library #1, substituted piperidines. |
zinc22-All | ZINC-22 |
swbb.docking.org
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-BB-22Q1-2.1M | Mcule building blocks |
swcc.docking.org
Database | Description |
---|---|
el2_22Q1_290K | Ellman library 2. isoquinuclidines |
Piperazine-22Q3-57M | Damien Young library 1. |
Arthor Databases
Tables of the arthor instances.
arthor.docking.org
Database | Description |
---|---|
BB-50-22Q1 | ZINC20 Building blocks, best price/delivery-speed combination |
BB-40-22Q1 | ZINC20 building blocks, second tier in stock. |
BB-30-22Q1 | ZINC20 building blocks, third tier in stock |
BB-20-22Q1 | ZINC20 make-on-demand building blocks. Likely >> $500 . Likely 6 weeks or more. |
BB-10-22Q1 | ZINC20 make-on-demand or expensive building blocks. Like >> $1000. Likely 6 weeks or more. |
BB-ForSale-22Q1 | ZINC20 building blocks (50+40+30+20+10) |
BB-InStock-22Q1 | ZINC20 building blocks (50+40+30) |
ChemSpace-BB-Stock-Mar2022-712K | ChemSpace building blocks |
ChemSpace-SC-Stock-Mar2022-346K | ChemSpace screening compounds |
HMDBMetabolites-20Q1-585 | HMDB Metabolites |
In-Stock-19Q4-13.8M | ZINC20 in stock |
Informer-Set-22Q3-4M | ZINC20 informer set (fast delivery, modest prices) |
Mcule-22Q1-8.7M | Mcule Screening compounds |
Mcule-V-22Q1-51M | Mcule make on demand |
Mcule-BB-22Q1-2.1M | some description |
Mcule-Full-22Q1-60M | Mcule SC+BB |
Mcule_ultimate_20Q2-126M | Mcule Ultimate |
REAL-Database-22Q1-00 | Enamine REAL one part |
REAL-Database-22Q1-01 | Enamine REAL another part |
TCNMP-20Q1-37K | Traditional Chinese Medicine database |
Wait-OK-19Q4-1.1B | ZINC20 in stock and make on demand |
World-Drugs-20Q1-3K | ZINC20 drugs |
WuXi-19Q4-339M | WuXi make-on-demand |
ZINC-All-19Q4-1.4B | All ZINC20 |
ZINC-Interesting-2019Q4-307K | ZINC20 annotated, bioactive |
ZINC-On-Demand-19Q4-311M | ZINC20 make on demand |
ZINC20-ForSale-22Q1 | ZINC20 for sale |
arthorp.docking.org
Database | Description |
---|---|
el2_22Q1 | some description |
REAL-Space-22Q1-00 | |
REAL-Space-22Q1-01 | some description |
REAL-Space-22Q1-02 | |
REAL-Space-22Q1-03 | some description |
REAL-Space-22Q1-04 | |
REAL-Space-22Q1-05 | some description |
REAL-Space-22Q1-06 | |
REAL-Space-22Q1-07 | some description |
zinc22-22Q1(H01~H25) |
arthorbb.docking.org
Database | Description |
---|---|
BB-10-22Q1 | some description |
BB-20-22Q1 | |
BB-30-22Q1 | some description |
BB-40-22Q1 | |
BB-50-22Q1 | some description |
BB-ForSale-22Q1 | |
BB-InStock-22Q1 | some description |
ChemSpace-BB-Stock-Mar2022-712K | |
Mcule-BB-22Q1-2.1M | some description |
arthorcc.docking.org
Database | Description |
---|---|
el2_22Q1 | some description |