ChemRPS (Chemical Registration & Publishing System)
ChemRPS is a system to load and search SDFiles by structure on your own website or computer. It is designed to offer companies a search system for their chemical structures without needing the knowledge to build and deploy the system on the Internet.
It is difficult to offer a structure search system on the Internet without a lot of know-how.
ChemRPS is a free Docker-based system that allows you to load and search SDFiles by structure on your corporate website or local computer.
The system comes with a preconfigured RDKit enabled PostgreSQL database, a search engine (API) and a preconfigured webserver with register/search web pages including structure editor (Ketcher from EPAM). It also contains a program that allows you to bulk load SDFiles.
ChemRPS is intended to be used by small or medium sized companies looking for an easy way to make their chemical structures searchable on the Internet, without the need to invest a lot of money for license fees or programming services.
Because of the easy deployment ChemRPS can also be used by individuals looking for an 'out-of-the-box' solution that allows them to make structures contained in SDFiles searchable via Substructure and/or Structure similarity search.
We provide a demo. Browse to the location where you will find your SDFile. Upload your SDFile and follow the instructions.
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.
This system can be extended by our services to a full fledged chemical information system.