Cmpd_Screening

AKos
Consulting & Solutions GmbH
a chemoinformatics company

Screen Compounds

Workflow for making targeted libraries: see below

Workflow when buying compounds:

Collect screening compounds	- email us for a CD of our screening samples, and get MDL^®Screening Compounds Directory (over 2'000'000 screening compounds) We provide the actual screening samples via our cooperation with AKos Samples, Scientists in Luthania, and Ost-West Handelservice, which collects compounds from Russian laboratories. - use compounds from your own collection	over 1'000'000 samples
Select compounds by chemical criteria	- use Reagent Selector, with Chime (MDL^®Chemistry Rules Interface) scripts
Select compounds by biological criteria	- use the new biological descriptors from PASS PASS (Prediction of Activity Spectra for Substances) helps you to screen only a fraction of the samples to find large number of hits. We have shown that with 1% of the amount of samples, you find already 20% of the hits. - What does this mean? Instead of screening 5000 compounds it is sufficient to screen only 50 compounds, and you can be assured to find a large number of hits in this enriched selection.	in-silico screening
Buy the compounds	- use SMART to store the entries and to produce the order
Do the experiment	-use Assay Explorer to record standardized notebook entries. Assay Explorer handles all your information and data needs to do, manage and analyze your experiments.	biologist's notebook
Produce reports of your data	- use the MDL^®Report Manager to produce quickly publishable reports
Share the knowledge with the project group or company	-use ChemBio as a turn-key application to share information among chemists and biologist. ChemBio, is a storage and retrieval system for chemical and summary biological data.	affordable company-wide chemical and biological information system

Workflow for making targeted libraries:

Design your library	- use Afferent Teamworks 3.0. Afferent supports the expanding role of parallel chemistry, offering tools for building (reaction paradigm), synthesizing, archiving, and analyzing combinatorial libraries.	Supports robots: Gilson 215, Bohdan RAM, TECAN Genesis
Design your synthetic methodology	-use robust methods to synthesize your compounds. SPORE (Solid Phase Organic REactions) supplements the other reaction databases with comprehensive information about reactions on solid support.	comprehensive database
Buy building blocks	- we offer building building blocks. Have a look at our Building Block database	515 compounds
Select compounds by chemical criteria	- use Reagent Selector, with Chime (MDL^®Chemistry Rules Interface) scripts
Build your library in the computer	-use MDL^®Central Library to process reagents into libraries
Select compounds by biological criteria	- use the new biological descriptors from PASS PASS (Prediction of Activity Spectra for Substances) helps you to screen only a fraction of the samples to find large number of hits. We have shown that with 1% of the amount of samples, you find already 20% of the hits. - What does this mean? Instead of screening 5000 compounds it is sufficient to screen only 50 compounds, and you can be assured to find a large number of hits in this enriched selection.	-silico screening
Buy the compounds	- use SMART to store the entries and to produce the order
Do the experiment	-use Assay Explorer to record standardized notebook entries. Assay Explorer handles all your information and data needs to do, manage and analyze your experiments.	biologist's notebook
Produce reports of your data	- use the MDL^®Report Manager to produce quickly publishable reports
Share the knowledge with the project group or company	-use ChemBio as a turn-key application to share information among chemists and biologist. ChemBio, is a storage and retrieval system for chemical and summary biological data.	affordable company-wide chemical and biological information system