Hi everyone,
Can anyone recommend a free HPLC prediction software/program to predict Retention times of a few molecules using various flow rates and/or columns?
It would be very useful.
Thank you!
Cheers,
Verena
Hello, I think program can't be so accurate only with flow rate and column info the parameter which also have a influence on RT is system is dead volume which you should have for prediction.
Dead volume is different for all systems.
You can tray below program.
Which working not bad.
http://www.retentionprediction.org/hplc/
Hope this info will help you.
Good luck!
I think, that more useful is to find a program that will calculate hydrophobicity of molecules of your interest. You probably need just only order of elution of individual compounds from your mixture. Precise estimation of RT depends on many factors and usually is not so important. You can try ACD ChemSketch, where the feature is free for one month after installation.
Hi Regina,
I hope all is well! I don't have a full answer for you but rather a tip who to contact with your question. I know dr Leon Barron from KCL has worked on comprehensive models for LC retention time prediction. Maybe he can help you!
Kind regards,
Arian
Hi all, thanks so much for your answers! I will look into each one..
Cheers,
Verena
Hi Regina,
I am noting this question way too late. Our group has been developing a LC retention prediction software tool that uses data from real chromatograms to predict retention times under "any" mobile-phase composition method. It can also be used to extrapolate retention parameters from your specific molecules.
We do not have it publically available yet, but I can share with you an alpha version.
Kind regards,
Bob
Hello Regina,
I'm a little late to the game here, but some alumnus of Peter Carr's lab have done an excellent job with their retention prediction software.
http://retentionprediction.org/hplc/index.php
Additionally, if you follow the work of Dwight Stoll, his lab has developed an excellent LC simulator for multidimensional applications.
Cheers,
Eli
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