Can anyone solve my query related to quantitative structure-activity relationship (QSAR)?

More Sehrish Shafeeq's questions See All

How to find Youngs modulus and also to fatigue analysis through FEA in Solidworks/ANSYS/nTop?

I have model of a bone having open lattices,I want to find the youngs modulus of the lattice model nd also perform fatigue tests.How can this be done through software?

21 September 2020 872 3 View

Can I construct a gus reporter vector with genepromotr-5utr-genomic seq(introns included)-3utr----gus ?

I have constructed and transformed my gus construct in the following way construct : gene promotor-5utr-genomic seq(introns included)-3utr----gus . My gene produce two kind of transcripts. So...

24 October 2019 4,382 2 View

How to determine interfacial energy of polymers?

How to determine interfacial energy of polymers by contact angle from a goniometer? How polar and dispersive part of interfacial energy is obtained?

17 September 2019 3,554 3 View

Collection of Silymarin Gold Nanoparticles?

Hi, I am working on synthesis of Silymarin Gold Nanoparticles for my project and I am unable to get nanoparticles in dry powder form for characterization tests. Can anyone kindly guide me with...

10 August 2018 4,460 2 View

How to apply cyclic loading in the small hole of the specimen in ABAQUS XFEM?

I have difficulties on applying cyclic loading to the small hole of the specimen (Steel E335) in order to simulate fatigue crack propagation. I'm doing crack propagation analysis using ABAQUS XFEM...

26 March 2018 2,294 3 View

Media influence on radicalisation impacting young muslims in UK

I want to know how media portrayal of radicalisation has an impact on young muslims in UK.

28 March 2017 1,158 2 View

Can we say that expression level of phenoloxidase (PO) is equal/ directly proportional to Prophenoloxidase (PPO)?

Kindly guide that can we say that expression level of phenoloxidase (PO) is equal/ directly proportional to Prophenoloxidase (PPO)? as PPO is inactive form of PO.

06 February 2016 4,692 5 View

Has anyone observed symptoms of granulosis virus in indian meal moth Plodia interpunctella?

I would be thankful if someone direct me to observe the visual symptoms of granulosis virus in Plodia interpunctella.

05 February 2016 1,981 2 View

Is it normal for cells to grow in sheets in soft agar?

I am doing soft agar growth assays for the first time and my lab has not performed these assays extensively before either. I prepared my agar bases with 0.6% agar and suspended equal amount of...

31 December 2015 7,665 4 View

Is their any other alternate software for decoy generations except DUDE-E decoys??

Probably, there is some server error in DUDE-E decoy generation. As it keeps on sending empty files whenerver i had submitted by ligands for decoys generation. Can anybody tell me some alternate...

21 December 2015 8,090 5 View

How can I do y-scrambling( y-randomization) to test the developed machine learning-based model ?

Dear researchers : y-randomization is one of the special tests of machine learning approaches. I want to evaluate my developed machine learning-based models, to predict active peptides, by...

26 October 2020 1,196 2 View

Can we consider a molecule as a "drug lead" if it has a positive charge in its structure?

Can we consider a positively charged molecule as a drug lead while designing a drug using computational tools?

07 September 2020 9,228 3 View

How can I explain larger R-squared Cross-Validation from leave many out as compared to to leave-one-out?

I have a problem with my cross-validation R-squared values. Dear All, Please I am writing to seek some assistant on computing cross-validation R-squared with R-studio. I have attached the...

01 February 2020 9,122 3 View

How I can learn qsar study techniques i organic chemistry ?

I am completely unknown to qsar can some one teach me or tell me how can I do it

01 February 2020 7,239 20 View

How to create comfa contour map?

Thank you for reading. I'd like to create contour map generated with the CoMFA. If you know how, please tell me the reference paper or books. And is it possible to create it when using other...

27 January 2020 7,429 3 View

How to create comfa contour map?

Thank you for reading. I'd like to create contour map generated with the CoMFA. If you know how, please tell me the reference paper or books. And is it possible to create it when using other...

31 December 2019 5,746 3 View

How to process salt compounds in QSAR modelling?

Hi, I'm working on QSAR modelling for toxicity prediction. In data collection and processing step, how can I process salt compounds that include one metal cation with more than two organic...

20 November 2019 9,798 2 View

How to process salt compounds in QSAR modelling?

Hi, I'm working on QSAR modelling for toxicity prediction. In data collection and processing step, how can I process salt compounds that include one metal cation with more than two organic...

10 November 2019 6,190 2 View

Which QSAR descriptors are related to ligand entropy?

I am trying to create a ML model which includes various energy terms accounting mainly for the enthalpic contribution to ligand-binding. However, entropic contribution is neglected, although it...

18 October 2019 7,328 6 View

Which QSAR descriptors are related to ligand entropy?

I am trying to create a ML model which includes various energy terms accounting mainly for the enthalpic contribution to ligand-binding. However, entropic contribution is neglected, although it...

09 October 2019 8,523 5 View

Sehrish Shafeeq

Hi,

Thank you for your response. Check your inbox please. I have shared complete details there.

Regards

SEHRISH

Ramon Carbó-Dorca

What's the counter-energy map? And as before, someone asked: which tool did you use? Perhaps this is related to docking. In my opinion, perhaps you can use some different technique...

Thank you Ramon Carbó-Dorca for your concern. I used an online application tool for performing QSAR. That problem of counter energy map has resolved now.