Chemical Structures in Databases (blog article 6 of 8) : Chemical Awareness

One of the many roles of IUPAC has been to establish and maintain systematic rules for the nomenclature of chemical entities. Within the ...Read more

Chemical Structures in Databases (blog article 5 of 8) : Subgraph Isomorphism

A mathematician might define subgraph isomorphism as the determination of a subgraph of a graph which is isomorphic to another graph. From the chemo-informatic ...Read more

Informatics RDBMS storage and manipulation of chemical moieties (blog article 4 of 8)

Over the past three decades, COTS products from major chemoinformatics solution providers have offered a number of technologies for the storage and manipulation ...Read more

Chemical Structures in Databases (blog article 3 of 8) : Extensible Indexing

Traditionally database indexes, a mechanism to quickly locate data within the database without significant performance penalty, have been limited to database data type primitives. ...Read more

Chemical Structures in Databases (blog article 2 of 8) : Chemical Structure Databases

The Cope-Chat approach previously described remains the crux of most chemoinformatic database systems. The implementation provides a mechanism to search on chemical (sub)structure or reaction scheme ...Read more

Chemical Structures in Databases (blog article 1 of 8) : Cope-Chat cards, some 1930’s technology

A most fascinating and simple early technology for the indexing of information, a precursor to databases and their respective indexes, used Cope-Chat (Copeland ...Read more


When an SQL result-set needs to be returned in some sort of order, it is not unreasonable to expect that the information to ...Read more

Finding Nemo Onetangi

Being a freelance contractor is often stressful - parachuted into a budget constrained project with tight timeframes and where you know next to ...Read more

Database Table Partitioning – Why?

There are not two common reasons why RDBMS DBA's partition database tables, but five. The two rote answer reasons usually cited for implementing ...Read more

MongoDB as a DNA Typing Database (SGMPlus?)

Is MongoDB up to the job of being able to query a database of ca. 10,000,000 SGM Plus DNA profiles and laboratory samples? ...Read more