Which one is the best software for Multi Linear Regression analysis for QSAR?

More Sedat Karabulut's questions See All

Is there a need to conduct a content analysis of the focus group interviews conducted before the scale adaptation study for my doctorate thesis?

Dear researcher friends, Before the scale adaptation study, I will conduct a focus group interviews to reveal whether the structure presented in the existing scale is confirmed or not and to...

18 February 2024 5,766 3 View

I try impact load on buried pipe in ABAQUS but not deforming my soil and other body. What is the problem?

Soil: Mohr-Coulomb

27 November 2023 6,581 0 View

Could you recommend any sources about ethical dilemmas pertaining to virtue, deontological, and utilitarian ethics aside from traditional ones?

Other than the widely discussed trolley problem,

25 November 2023 9,057 3 View

How can I find/calculate individual indirect effects of multi mediation model in Amos?

I am evaluating a structural model in Amos that has multi (2) mediators. Amos calculates the total indirect effects (a1b1+a2b2) while I am looking for individual indirect effects. Syntax error...

29 December 2022 9,153 0 View

Analysis that I can use with Fuzzy DEMATEL results?

For example, how do I switch from Fuzzy DEMATEL to D DEMATEL? Is there any program or excel file? Or do you liquidate another analysis method? I only have Fuzzy DEMATEL data and results.

11 October 2022 6,320 0 View

In which analysis can I use Fuzzy DEMATEL results? Can you suggest a sample article?

I used Fuzzy DEMATEL results as a methodology in one of my study, but I was criticized that the methodology was insufficient. Can you recommend a method where I can use the Fuzzy DEMATEL results?

30 September 2022 1,888 3 View

How can I search specific protein sequences at N-terminus on PDB website?

Hi. I want to search specific amino acid sequences on PDB website but when I search sequence motifs I found it in sequences but I need to find the N-terminus end which includes my sequence motif....

27 September 2021 1,242 1 View

Is it acceptable adapting a MTE scale to measure gastronomy (local food) experiences only?

Memorable Tourism Experience Scales (MTEs) can be considered generic instruments measuring tourists' experiences in destinations. Any problems with the idea of adapting such a scale to measure...

10 June 2021 4,355 3 View

Anyone who has Fuzzy Dematel excel file for 19 criteria and 8 experts?

Hello to everybody, There are 19 criteria in my article study and 8 experts evaluated them. If there is a Fuzzy Dematel excel sheet, can you send it to me? If you help me I will be happy. Adnan...

17 May 2021 3,254 0 View

How to reduce non-adhesion flow from ICAM-1 Coated Plates?

Currently, I am trying to see the chemotaxis of naive T cells on ICAM-1 coated plates. Although they adhere well after few minutes of CCL19 treatment, I mostly see the flow of the cells without...

23 July 2020 6,948 0 View

Critique Calculaltion in Topological Indices and QSPR Modeling?

The first step is to analyze a 2D molecular graph and implement partitioning techniques to calculate the topological indices. Secondly impose statically tools to generate QSPR model, may or may...

24 July 2024 9,644 1 View

What should i use to align molecule for QSAR?

I have molecules with different groups. Some are bis chalcones, some are Dicoumarins, etc. How do I align them in Sybyl software if I can't select any common template?

27 June 2024 7,085 1 View

Can correlation and regression (MLR) coefficients have different signs?

I am getting a positive correlation between two variables. But in Multi-linear regression, i find the regression coefficient to be negative between those two variables. Is this normal?

25 June 2024 9,250 4 View

How to calculate Leave-One-Out cross-validation coefficient q2 for a QSAR model using scikit-learn SVR?

I have a training set consisting of 39 compounds. Here is a short code to calculate LOO q2 to SVR: from sklearn.model_selection import GridSearchCV from sklearn.metrics import make_scorer,...

24 May 2024 8,967 1 View

How to split molecules into test and training set in 3D-QSAR?

Hi peers and experts! I am new to 3D-QSAR and tried to build a model based on 34 molecules, split into 10 test and 24 training sets. In the end, a poor model is evident from r2 and q2 values....

08 April 2024 2,785 6 View

Please how can i download or generate ec50 or activity from ZINC database?

How to get activity for structures to be used for QSAR studies? Like ec50 or pIC50

20 March 2024 4,222 2 View

How to validate 3D-QSAR hypothesis without experimental IC50 values?

Hello Researchers I'm beginner in 3D-QSAR please enlighten about how to evaluate the 3D-QSAR model. I've read many articles in which mentioned experimental IC50 values then validated. If have no...

26 December 2023 223 2 View

Can I use WLSMV estimator to calculate moderation analysis using DEFINE command in Mplus?

Hello I want to conduct moderation analysis using the DEFINE command, categorical variables, cluster variable, and the WLSMV estimator. However, when I calculate the moderation analysis with...

16 December 2023 5,400 3 View

Autocorrelation descriptors in 3d QSAR?

i would like to ask, wheather autocorrelation desciptors are sub type of 2d or 3d desciptors , they are offered by many platforms to calculate without demon about the differnce between them and...

09 December 2023 8,714 3 View