I am planning to optimize my adsorption data using Box-Behnken Design (BBD) using Design-Expert Software (DoE).
Please note I have already completed my experimental work BEFORE using DoE software, and some data points are MISSING from the design generated by the software !!
How can I complete the responses in Design of Expert table??
please find below attached the images of: 1- my original data, and 2-the BBD in DoE with the empty cells (to be completed).
Kindly guide me to complete the design and optimize my data.
I greatly appreciate your replies :) !
Hi, so is the issue that you hadn't completed experiments for all experimental runs, and now you have to continue after the fact? Or some other issue? I can't quite follow as I see that you have a full table of experiments via design expert and have performed 13 experiments so far, I'm not sure quite what the problem actually is. Is it to do with the fact that you wouldn't be performing the experiments in order anymore?
HELLO.NICE TO MEET YOU.DO YOU ARE WORKING ON MOLECular docking.i worked with molegro virtual docking.for arrive to ph number and energy number you must dock you ligand with protein to each other.also you must sue from ADMET.02.Best.
Your Sincerely,
Shahram Babadoust
Thank you Mr. David Hopkins for your reply and your interest in seeking more clarification.
Yes, the experiment is all completed. when I entered my data into the software(i entered the highest and lowest values of each parameter), it suggested that I run more lab experiments to complete the full 25 runs.
As you can see in the DoE table, I didn't adjust my parameters to those values: (e.g., pH=7?; time= 122.5min??; initial concentration of= 87.5ppm?? )-
Now I'm stuck and unable to complete the analysis, as I don't have the responses for the mentioned conditions!
Can you please guide me on how to complete it and do the Box-Behenkin design optimization process?
I appreciate your time in answering my question.
Nice to meet you too Dr. Shahram Babadoust . However, i'm not currently working on molecular docking.
By the look of it, you only put in high and low values for your parameters, and expected to only have to do those experiments? In Response Surface Models (RSM) the experiments given stretch beyond that, based on values which are determined to give the highest statistiscal strength (and thus value) to your data. In Box-Behnken Designs (BBD) this includes centre points (pH=7) and axial points, outside your design experiment range. Looking at the experiments you have done, I looks as though you have not followed these experimetns (I don't understand why you did , unfortunately to complete the RSM you will need to do all of them so you will need more work. Follow the list of experiments in design expert carefull and complete each in order, that is the only suggestion I can offer you. Not fun if you thought your work was over here, but you will need more. You should not generally complete experiments before planning them in a DoE software, it just leads to too much confusion unfortunately. So some of the data you have done you can most likely keep, other data points are not part of the model you selected and are not of use to you in this experimental design.
thank you for your detailed response Mr. David Hopkins
I realize now that I may have overlooked certain aspects of experimental design in my initial approach.
I will take your advice & ensure to follow the list of experiments in design expert carefully to complete each in order.
No problem. Good luck and enjoy the process, it takes time but can produce very worthwhile and meaningful results.
Dear Mr. David Hopkins and anyone facing a similar problem,
I have found the answer to my question!
First, you need to obtain a regression equation with coefficients. Once you have this, you can fill in your MISSING DATA on your generated design table based on that equation. It's as simple as that! 😁
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