Your opinion about chromatography optimization software

[fabrice]

Hi all,

My laboratory (API development in a pharmaceutical company) wants to buy a chromatographic optimization sofware like Drylab or ACD/LC Method Development Suite.
If you are a user of this kind of software, what is your opinion ?
Which one do you prefer ?
Is it really an useful tool ? Do you save (a lot of) time in your LC or GC development ?

Many thanks in advance for your feedback.

[tom jupille]

I'm not an ubiased commentator, because I spent many years supporting the DryLab software. That said, I was the primary technical support person in North America, and therefore have seen both the best and the worst aspects of these programs. So:

1. The bad news.

a. In order to be effective, the modeling programs must be part of a systematic strategy for method development. People who hope to use them "when all else fails" are usually disappointed.

b. The modeling programs are not intended (and not suitable) for beginners. The chromatographic decisions are still made by the chromatographer. The programs can only show you what your chosen system is capable of; they cannot choose the system for you.

c. "GIGO" (garbage in = garbage out) is true of any software, but especially true of the chromatography modeling programs. Peaks in calibration runs need not be identified, but they must be matched (i.e., you must know which peak corresponds to which in the various runs). In my experience, this is the most difficult part of using the prog

2. The good news:

a. These programs can be tremendous time savers. For example, you can evaluate the combined effects of gradient steepness and temperature in reversed-phase on the basis of four experimental runs requiring a total of just over an an hour (if you use 100-mm long columns).

b. The programs quickly (and definitely) tell you what will not work. Users end up avoiding a great deal of wasted time following "blind alleys".

[fabrice]

Many thanks Tom !

We will test the evaluation version of ACD/Labs method development suite next month.

[Anthony Crawshaw]

I know that ACD are actually looking to automate their method development software. This is something that we have been evaluating with a piece of software called ChromSword (http://www.iristech.net/).

By also using a column switcher and additional solvent valve, multiple experiments can be performed automated without operator input.

However, I must stress, like Tom mentioned, Chromatographic knowledge is essential to make certain critical decisions. These are tools designed to help and not simply to replace the old grey matter!