Mohamad Akbari

11 Questions 46 Answers 0 Followers

Questions related from Mohamad Akbari

What is the acceptable range of RMSE or MSE for QSAR/QSPR model?

Hi dears As you know one of the parameter must be calculated in QSA/PR study or modelling its error value in order of RMSE or MSE. Absolutely its clear that model with minimum error or RMSE its...

02 February 2016 9,573 7 View

How can I analyze a chemical solution for determining and identification of components?

Hi I have solution that contain compound like inorganic acid , salt and additive ... At the first I want to know about the chemical composition (chemical components) of this solution and at the...

20 November 2015 8,131 7 View

Why is the solubility of Naringin in water low?

Why Naringin solubility in water is low but solubility of this compound in aprotic solvent like THF and DMF is high? I wanna the reason of this phenomena from organic perspective. Best...

11 September 2015 7,602 6 View

How can I validate a docking protocol?

Hi For validation of docking protocol usually dock again co-crystallized ligand in protein, and if the same conformation with acceptable RMSD reproduced, this setting use as protocol (setting) for...

08 July 2015 6,528 9 View

What is the best method for molecule optimization in molecular docking?

Hi dear There are many opinion for molecular optimization before docking process, but really its depend on docking software and work type. So my question is that for optimize molecule bond length...

23 June 2015 6,736 3 View

Should be removed metal ion from protein structures befor molecular docking?

Hi As you know we should remove (reference) ligand from protein structure to put new ligand for docking. removing ligand or So4/po4 group has clear reason, but in commercial docking software like...

04 June 2015 7,804 4 View

Can anyone suggest me a review article about the effect of estrogen on amygdala ?

i find many research paper about this issue but i cant find a review paper or book chapter. Best regards. Mohamad

04 June 2015 6,624 1 View

How can I do leave one out cross validation?

I make statistic linear model with spss or/with matlab. I wanna to cross validate this model but i have 2 problem. at first, suggest me a way in spss or much better to say in matlab to show me...

11 May 2015 8,638 14 View

How can I make a molecular mechanics force field (MM-FF)?

I want to understand force field ( if possible to make again one of them), For beginning i read past article about force field , for example worked by "Cornell" (A second generation ff... 1995) or...

19 November 2014 6,646 7 View

Does any change occurs on protein structure when a protein docks with a ligand?

I work in Molecular docking (Ligand-Protein Docking), Does any change occurs on protein structure when a protein dock with ligand?my question is that when in vivo a ligand(drug or any compound)...

23 September 2014 6,846 18 View

How to improve the result of LSSVM (toolbox) for regression model?

Hi dear How we can improve the result of lssvm in regression model, I find the best result for 81 sample with 7 variables as well R2=0.84. Is there any way to improve this result in lssvm toolbox...

01 January 1970 5,603 3 View