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

Chemical information models

Dave Weininger
Daylight/Metaphorics

1. How can one do anything useful with a computer?

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

How can one do anything useful with a computer?

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


2. Fundamental chemical informatics: Part ONE

What chemical entities are useful to represent?

3. Fundamental chemical informatics: Part TWO

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

4. Fundamental chemical informatics: Part THREE

How can we represent chemical entities in a computer?

0. How can one do anything useful with a computer?
1. What chemical entities are useful to represent?
2. What operations on chemical entities are useful?
3. How can we represent chemical entities in a computer?
4. How can we associate properties with chemical entities?


5. Fundamental chemical informatics: Part FOUR

How can we represent a chemical entities in a computer?


Daylight Chemical Information Systems, Inc.
info@daylight.com