Smallworld and Arthor Databases
Jump to navigation
Jump to search
Introduction
This page will detail 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 |