is a free system to load and search SDFiles by structure on your own website or computer.


Open the URL http://chemrps.westeurope.cloudapp.azure.com:8080/registersdfile.html,.and browse to the location where you will find your SDFile. 

This demo version is restricted to small SDFiles and will not register more than 100 compounds. There is no limit for the free system. You can then choose the ID, this can be the Molname, your ID, or anything else.

Open the search page http://chemrps.westeurope.cloudapp.azure.com:8080/index.html, and draw a structure and do either a full structure search, a substructure search, or a similar search. You also can search by ID. 

Creating your own structure searchable web site is anything but easy. With the free ChemRPS anybody can accomplish this in less than an hour. If you are interested more, please send us an email to isciencesearch--(at)--isciencesearch.com. This is all free of charge. 



User: Unable to find a compound by name or CAS Registry Number. 

Supplier of chemicals: Offer your customer a way to search by structure.

ChemRPS offers fullstructure, substructure search and similarity search. 

User: Unable to find a compound. 

Do a similarity search. 

Unable to add search functions to your home page.

Easy to implement the ketcher structure editor and the search option into your own website, or use these demo files for a start

Not many customers know my supplier web page, why should I have a structure search for my compounds?

Integrate your ChemRPS system with iScienceSearch (http://isciencesearch.com/iss)

Installing cheminformatics software is expensive and requires a lot of know-how.

ChemRPS is free! We provide a Docker container. Installation is very easy. 

Easy to use cheminformatics software is often not a multi user system. 

ChemRPS is a web application, anybody who can access the URl can use it.

  • offer this to the world

  • make a project database inside your network

  • use it as a personal database

ChemRPS does not show all fields and data from the SDFile.

We are planning to implement this function with a yearly maintenance fee. 

I need a low cost chemical and biological multi- user information system.

As a consulting project we can expand ChemRPS into a full-fledged chemical and biological information system.

The advantage for you is that you pay only for the customization, but no license fees because everything is based on open source software.

The system is designed to store small molecules, but we also can extend this to large molecules, see PROTEAX.

I read somewhere that we make every 30 minutes an error. Most of them we catch ourselves, but not all. We control the entering of assay data, so errors can be avoided, and much more.


The following is a call to the scientific community:

Structures and data are often published in tables that cannot be used for further work. Data should be published in the form of a database. This is extremely difficult and requires a lot of know-how.

With ChemRPS you can add a link to your publication and users can access your data in a searchable structure database.