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OrChem - An open source chemistry search engine for Oracle
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资源说明：Registration, indexing and searching of chemical structures
in relational databases is one of the core areas of
cheminformatics [1,2]. Research on the topic goes back to
the 1960s and probably before that [3]. However, little
detail has been published on the inner workings of search
engines and developments have been mostly closedsource.
This has led to the situation that despite more than
thirty years of research and publications very few open reference
code is available for use and study. The cheminformatics
open source community [4] has been working
since the mid 1990s to overcome this problematic situation.
Our group has contributed to this by creating and
developing the Chemistry Development Kit (CDK) [5,6],
now co-developed with collaborators world-wide as well
as NMRShiftDB, an NMR database which provides a
MySQL-based open source system for the registration and
searching of chemical compounds in a relational database
[7,8]. In the meantime, three projects dedicated to the
development of chemical registry and search capabilities
for PostgreSQL (project PGChem) [9], MySQL (project
MyChem) [10] and Oracle (project OrChem) [11] have
been established under the umbrella of the ChemiSQLProject
(pronounced "chemiscule") [12]. Here we report
about our development of OrChem, an open source software
package which adds registration and chemical search
capabilities to the Oracle 11G database system. OrChem
is a mix of PL/SQL and Java that executes inside the data-
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