Is there any free database or software for ADMET filtering?

More Vijey Aanandhi Muthukumar's questions See All

What are the BS VI and Euro 6 emission norms for diesel engine in g/kwh not g/km?

I need BS VI and Euro 6 emission norms for diesel engine in g/kwh But it is available in g/km How to i get it in g/kwhr?

13 May 2024 4,680 2 View

What is the solution for vanadium enrichment in AOD convertor slag?

We are doing vanadium impurity removal in AOD process. We can achieve the vanadium oxidation in the liquid metal and mil scale is used a crust forming agent. However, we couldn't t able to remove...

07 March 2024 7,411 0 View

Is it any way separate vanadium from sulphuric acidic solution contains 10gpl V with 25 gpl of Al ?

We are leaching vanadium from iron slag using sulphuric acid at 0.5 pH. The leaching liquor contains 9-11 gpl of vanadium along with 20 to 25 gpl of aluminum leaching and 2 gpl iron. What is the...

15 February 2024 3,184 0 View

What is the impact of TiO2 present in the iron ore in DRI process?

we are facing pellet carking in the DRI pellet with >4% TiO2 in the raw material. \is there any solution to control the pellet cracking in the downstream process. |Thanks in advance

04 January 2024 5,360 8 View

How to interpret the results of my factor analysis or change them accordingly?

Hello, I have first cleaned the data by handling all missing values. 1. I have done factor analysis for four variables regarding environmental concern. 2. I used PCA and Varimax 3. I have got...

08 September 2023 9,467 3 View

How to calculate sample size for multi-arm (three arm) RCT?

21 April 2023 4,910 1 View

How to calculate the energy share in the hydrogen usage in the RCCI engine?

How to calculate the energy share in the hydrogen usage in the RCCI engine? How to calculate energy share?

10 March 2023 2,333 0 View

What is the different between HCCI, PCCI, RCCI and GDCI combustion?

What is the different between HCCI, PCCI, RCCI and GDCI combustion? in RCCI which type of LRF and HRF used?

24 February 2023 6,521 5 View

Gromacs isn't reading/accepting the index.ndx file?

Please see the snapshot below, while the index groups have been created and are non-empty groups, the gmx2020 installation isn't computing rg for the desired group.

23 January 2023 3,827 0 View

How to convert the IC engine exhaust gas emission measurement in ppm and % into g/kWh and g/Km?

How to convert the IC engine exhaust gas emission measurement in ppm (NOx, HC) and % (CO, smoke & CO2) into g/kWh and g/Km?

27 December 2022 4,074 2 View

How can I prepare virus for a TEM or SEM imaging?

I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?

11 August 2024 3,115 1 View

Handling Missing Data and Building a Predictive Model with Incomplete Information ?

I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...

10 August 2024 4,005 2 View

Is it possible to use the Fused Deposition Modeling (FDM) to additively manufacture interconnected porous structure generation of >100-200 micrometer?

Usually, additive manufacturing techniques like SEBM, SLS, and SLM are used for interconnected porous lattice structure generation with sizes of >100–200 micrometers. Can the Fused Deposition...

09 August 2024 7,892 0 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...

09 August 2024 5,048 2 View

Request Python code?

Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!

08 August 2024 6,242 2 View

How can I apply boundary conditions in an orthotropic steel deck numerical model using ABAQUS software?

I am trying to simulate vehicular loading on an orthotopic steel deck bridge section in ABAQUS software. The red arrow mark in the attached figure indicates the direction in which the vehicle will...

08 August 2024 719 0 View

Why does everyone use vs code?

Visual Studio Code (VS Code) has become a popular choice among developers for several reasons: 1. **Free and Open Source**: VS Code is free to use and open source, making it accessible to...

07 August 2024 7,013 4 View

Can you suggest reliable sources defining "3D mesh" and "3D city models"?

Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...

06 August 2024 9,986 2 View

Is an invitation to join the editorial board of Clinical Cardiology Updates a scam?

I received an e-mail invitation to join the editorial board of Clinical Cardiology Updates. While I have published a few articles related to cardiovascular disease, there are lots of colleagues...

06 August 2024 8,981 8 View

Please explain how the plastic input value should be considered from the true stress-strain curve for the bilinear elastoplastic material model ?

I am working on Abaqus/Explicit(Quasistatic ) for the deformation of the auxetic structure model. Please explain how the plastic input value should be considered from the true stress-strain curve...

05 August 2024 454 3 View

Rajnikant Namdeo

You can also use http://www.molinspiration.com/cgi-bin/properties

Hassane Tahir

You can use OCHEM.

Here is the link: http://kpfu.ru/docs/F776923326/Kazan_OCHEM_tutorial_long.pdf

Rohitash Jamwal

Aanandhi, you can also explore some of the tools listed in the link below.

http://www.vls3d.com/index.php/links/chemoinformatics/admet/admet-and-physchem-predictions-and-related-tools