want to know what happens when acetic acid reacts with carbon-dioxide?
From where can I get BENZENE (solvent) topology for AMBER or GROMACS force fields. or what is the procedure to generate it?
03 April 2015 6,700 4 View
I have sensitivity and Specificity values for the four different binary classifiers how to plot ROC curve ?? Suggestion pls.
07 August 2012 4,751 2 View
Do adaboost.M1 can be used for binary classification???
11 December 2011 8,849 1 View
Can any one aid be by giving details about how JACKKNIFE test is performed for a machine learning algorithm...Thanks in advance!
10 November 2011 5,271 2 View
Can any one explain me the difference between the LOOCV (leave one out cross validation ) and JACKKNIFE test.. or is it different or same. looking forward for an explanation. Thanks in advance..
10 November 2011 425 2 View
Does Fuzzy C mean clustering in any way advantageous than SVM (support vector machine) or in what type of problem does the fuzzy C-mean clustering perform well or the performance only depends on...
08 September 2011 1,978 18 View
Hi, I am bioinformatician .. i need to know how to train a neural network.. is there any good books to learn..?? thanks in advance
06 July 2011 4,742 6 View
Hi all, I am new to this blog. I am interested in machine learning approach. can any one explain me with simple example about membership function in fuzzy logic.
31 December 2010 7,907 5 View
Approximate concentrations are require in compared with the WHO permissible limts
11 August 2024 2,723 1 View
Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...
09 August 2024 5,444 7 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
Hello What should be done to separate and identify organic acids in HPC when their RetTime is the same?Like oxalic acid with Propanoic Acid.or acids that have a very close RetTime.
07 August 2024 8,782 3 View
I used humic acid at 0.044 g/kg soil in my pot experiment. But finally, I have to recommend kg/ha. Each pot's soil weight was 11 kg. What is the solution?
02 August 2024 7,186 6 View
Hi everyone, I'd like to better separate two close peaks coming from a bioconversion sample, I'm currently using a C18 KromaPhase 4,6mm Ø.I. SCHARLAU, particle size (µm): 10, pore size (Å): 100,...
30 July 2024 435 3 View
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
It has been long known that EDC carbodiimide and NHS easter's half life agains hydrolysis are highly related to pH. However, very surprisingly, not yet found a paper giving a table/chart of their...
25 July 2024 8,738 0 View
I run mechanochemical reactions that involves the use of a large amount of catalyst (1:1 molar ratio to the reactant). When I try to understand the effect of amount of catalyst on the reaction, I...
23 July 2024 9,938 1 View