Kasmi Rania

3 Questions 3 Answers 0 Followers

Questions related from Kasmi Rania

The error associated with each IC50 value influence the QSAR model built, should they be incorporated or avoided, and how?

We have experimental results of the IC50 with the associated uncertainty value (+/-) for each compound since we did the calculation 3 times. So if we want to do QSAR modeling, is there any way to...

01 December 2022 9,995 2 View

Hello, is it mandatory to do a 3D QSAR study by CoMFA and CoMSIA in the same article, what is the advantage of using both methods at once?

Dear theoretical chemists, I have a question concerning 3D-QSAR studies, why in most publications I notice the use of two models : CoMSIA and CoMFA knowing that the CoMSIA technique encompasses 5...

21 July 2022 179 2 View

What are the criteria for choosing the descriptors comparing MOE and Gaussview?

I need to know what the criteria for choosing descriptors shoud be?For example,the use of MOE software can generate more than 100 types of descriptors but it is obvious that not all of them can be...

13 January 2019 7,040 2 View