Welcome

Publicly available chemical information including structures, chemical names, chemical synonyms, database identifiers, molecular masses, XlogP and proton-donor/acceptor data were downloaded from different databases and combined into a single internal repository for compound-specific, structure-based cross references. Molfile (SDF) to InChI code converters (vs. 1.0.2) and InChI code to InChI key converters were integrated into the tool set to allow any type of query access, e.g. by chemical names, structures, database identifiers. For data storage and retrieval we are using a PostgresSQL database.
This database allows executing queries at far higher speed compared to web-based applications that query external repositories in real time. For accessibility we use a web GUI and a soap-based application-programming interface was implemented for automated access.

Simple Conversion