AKos GmbH and Biochemfusion developed a inhouse chemical database system based on RDKit and PostgreSQL. This is a multiuser system.
As a supplier of chemicals you might have experienced the following issues:
We offer a database system based on PostgreSQL and RDkit that works under Linux, and works very well in a virtual machine under Windows. The client can be installed on Linux or Windows.
We offer as a standard interface to other systems the registration of SDFiles. We support ChemDraw and ISIS/Draw. The supported virtual machines are VMWare and HyperV.
As example how a supplier's webpage could be enhanced with a structure search, please open https://www.akoscheminformatics.de/chemrps/chemrps.htm
Please ask for a quote, send an email to akos--(at)--
The standard import functionality and the standard data dictionary might not be what you want. We offer services to adjust the system to your needs. We have a lot of experience cleaning your data before we register them into the system:
Structure checker: This application checks the correct valence, weeds out wrong structures enhan
Standardizes structures, for instance converts 5 valence nitrogen in 3 valence nitrogen (e.g. uncharged nitro groups gets converted in charged nitro groups)
Name checker: This application is able to correct errors in names, i.e. if words are spelled wrong like immidazole instead of imidazole. Such a correction cannot be 100%, but it finds many errors.
CAS number checker: This application checks if the CAS Registry Number is a valid CAS number. It finds incorrect assigned CAS numbers. Often the CAS number given is in reality for a salt and not for the parent. We only have access to CAS numbers that are in the public domain, but this are already quite a lot.
Data enrichment: This application can add
For certain customers we have applications that provide data directly:
Names of potential suppliers for a certain compound. You would like to give some identifier like synonym, CAS Number, AKos Number, IUPAC name, etc. and get quickly a list of suppliers.
Get quickly the prices for compounds from other suppliers.
Biochemfusion has a long experience on building systems for peptides. The system can be extended to handle peptides sequences with structure modifications.
Would you be interested in services, and/or would you be interested in having your full chemical information system.
Please send an email to:
+49 7627 970068
+49 7627 970067
|Please have a look at our Consulting offer. We are a small group of Ph.D.s in chemistry, that have a solid background of programming and chemoinformatics technology. We also can access a larger group of programmers in Hungary if the need is required for a larger project.|