[Tutor] Program to Predict Chemical Properties and Reactions

B G compbiocancerresearcher at gmail.com
Sat Jul 16 23:32:17 CEST 2011


Thanks, Emile-- although I'm not sure I was completely clear about my
objective. What I really meant is that is there a way (via machine learning)
to give the computer a list of rules and exceptions, and then have it
predict based on these rules the ionization energy. Ultimately I'm pretty
interested in the idea of building a program that could predict the expected
result of a chemical reaction, but that's a huge project, so I wanted to
start with something much, much, much smaller and easier.

So I don't really want to manually input ionization energy, atomic radius
size, etc, since I'm not sure how much that would help towards the bigger
goal.  For this project, I already have the ~15 rules that describe trends
on the periodic table.  I want to write a program that, based on these rules
(and the few exceptions to them), could predict the inputs that I want.
 Does this make sense?
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