InstantJChem: a flexible chemical database system G. Marcou and A. Varnek +Laboratoire d’infochimie, Université de Strasbourg, 4, rue Blaise Pascal, 67000 Strasbourg
Introduction • The goal is to present InstantJChem for the storage and manipulation of chemical information • General presentation • Database search • Creation of a database from scratch
What is a database? • A database stores data in an ordered form on a precise subject. • A relational database stores information into tables which possess inter-references • A relational database management system (RDBMS) is a software that manages relational databases • InstantJChem is not a database and is not an RDBMS.
What is InstantJChem? • InstantJChem is a friendly interface between a RDBMS, chemical information and the user. User RDBMS Chemical Information
Organization of InstantJChem • Everything is organized in Projects that are the top nodes of trees.
Content of the tutorial • Create a project and schema • Import data • Search by substructure, superstructure, similarity, and exact match • Search by keyword • Combining queries and result lists • Export query results • Create a new database • Create a relation between tables
Conclusion • InstantJChem allows one to manage and access chemical databases • During the short courses, another kind of database will be used regularly: MOE databases