Can I consider the OOB score of RF model as the same as R^2 score?

In a topology optimization machine learning prediction algorithm, can I consider the OOB score of RF as the same as R^2 score. Could that be a more unbiased way of validating the model

14 February 2021 3,540 1 View

Can any scholar assist me with an r code for calculating average bias for each parameter of a continuous distribution via simulation?

I want to perform a simulation study to examine the consistency property of parameters of a new distribution through the quantile function. The simulation study will contain many replicates (say...

10 February 2021 180 3 View

Peer to Peer Lending in India?

Is there any recent work available on the performance of P2P Lending in India?

05 January 2021 5,211 3 View

How do I plot the correlation coefficients (r) on a map based on a list of variables?

I am working to improve a manuscript and I have been advised to provide a map showing where the correlation is significant. Any information or links to learn about this would be quite helpful....

26 December 2020 1,162 5 View

Why does water have high boiling point compare to ethanol?

Water is a molecule that has a very high boiling point compared to ethanol. Why does water have such a high boiling point compared to a molecule like ethanol, and what are the...

23 November 2020 9,662 8 View

Can someone recommend a blog or website where i can get the list of datasets used for Medical question answering?

I am looking for a website of blog where i can get details about the relevant datasets used for question answering in the medical field. What i found, are not explaining in details these...

10 November 2020 7,202 3 View

Impact of Microfinance?

Can anyone guide me to some recent studies on Impact of Microfinance in India on Poverty, Employment and Incremental Income. Many Thanks.

09 October 2020 9,962 1 View

Microfinance and Economic Activities?

What Economic Activities taken up with Microfinance loans can yield returns greater than 25% which is the usual cost of a micro loan in India?

09 October 2020 3,777 5 View

What are the benefits of Chelex method of DNA extraction over regular extraction method?

I will be extracting trypanosome DNA from mid-guts of tsetse flies for LAMP analysis. Kindly advice on protocol to adopt for maximum yield and benefits of Chelex method over the regular method....

23 September 2020 504 4 View

How do i use spatial displacement of nodes as displacement values in Abaqus?

I obtained the nodal displacement values of (u1,u2,u3) from a bar in an analysis. I want to use these spatial displacement values as the boundary conditions for the undeformed instance of the bar...

17 September 2020 7,793 3 View

How the parameters (such as Mw, Chemical bonds, polymer bland and so on) affect the mechanic property of polymer (such as storage, loss modulus) ?

Anyone can recommend any books on such topics? Thanks in advance.

02 March 2021 8,457 2 View

How can you bring two structures together to create an adhesive bond in LAMMPS?

I have created an Ice 1h crystalline structure and an Aluminium substrate structure and equilibrated both at 250K. Now I need to bring them together in a way that an adhesive bond is created....

01 March 2021 3,325 2 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

I am looking for a simple software program to model 3D chemical bonds. The purpose is to generate high-quality graphical abstracts. Any suggestion?

Hello everyone: I am looking for a simple software program to model chemical bonds. The purpose is to generate a high-quality graphical abstract for a top leading journal in the field of...

23 February 2021 8,012 3 View

How to interpret this FTIR spectrum of pyrolyzed hydrochar?

20 February 2021 2,840 3 View

What is error #2070 in gaussian.how we do resolve it?

We want to ONIOM calculation in gaussian16. However, gaussian doesn't work. What should we do? Atom 15 layer R linked to atom 85 is also bonded to atom 161 in layer M bad...

15 February 2021 7,766 3 View

How long does it take to design and validate transition state analogue inhibitors?

Hi, I'm asking from the point of view of designing a research plan: How long (approximately) can it take to determine the transition state structure of an enzyme substrate using kinetic isotope...

14 February 2021 2,610 1 View

How to check if the PMF profile obtained from ABF simulation is correct?

I am doing ABF simulations to calculate ligand binding enegy. The PMF profile that I get using single long ABF simulation is attached as pmf_total.png. When I do this ABF calculation with 10...

10 February 2021 4,170 2 View

Ligands with 3,4,5-trihydroxyphenyl group?

Hi In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure? In other words, does the 3,4,5-trihydroxyphenyl group compete with...

08 February 2021 4,977 7 View

Is there any difference between "SEP" as a non standard residue and phohophorylated serine?

I am trying to run a molecular dynamics simulation for a ligand that contains a "SEP" residue. also, I am preparing my files using Charmm-GUI using charmm36 ff, but it says that it will rename my...

31 January 2021 6,321 1 View