MUG '05 -- 19th Daylight User Group Meeting -- 9-11 Mar 2005

Chemical information models

Dave Weininger


Information modeling is at the heart of informatics.
The molecular information model is cool.
Discuss problems/solutions.

How can one do anything useful with a computer?

One usually needs to represent real things in a computer program using digital representations.

Fundamental chemical informatics: 1 of 8

What chemical entities are useful to represent?

Fundamental chemical informatics: 2 of 8

What operations on chemical entities are useful? Various representations have different advantages,