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evert
2010 May 17
0
looking for Variable selections models, techniques, methods
...over the time it takes the molecule to migrate from the initial configuration to the final configuration.
I have already tried and ruled out a simple correlation.
Someone here has suggested looking for correlation of variables and the work curve in a time window,
for example 20 time steps wide (everty step is equal to 50 fs). But this meaningless (on my view) because it
would dig out a transient relationship. Whereas what we need is a relationship that lasts consistently all over the configurational transformation period.
I made some progress with techniques for Dimensionality Reduction.
The p...