Hi everyone,
I build a 3D-QSAR model with SYBYL and then want to predict CoMFA and CoMSIA fields of new compound for predicting biological activity.
How can I do this?
This larva was captured using a plankton net in the Persian Gulf during the summer. I believe it may be a Facetotecta nauplius.
08 August 2024 3,746 4 View
Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?
06 August 2024 980 5 View
Hello everyone! I am currently exploring the performance of large models in understanding knowledge in specific domains, and attempting to construct a knowledge framework similar to what...
05 August 2024 5,729 2 View
Regarding a model for simulating battery charge and discharge, what do you consider to be high fidelity? What is the acceptable percentage of error (regardless of the metric)? Could you suggest...
03 August 2024 5,358 0 View
need to open an account to upload my published papers
01 August 2024 9,255 1 View
All plants are green but some of these plants becomes yellow. I did not found any reason. Please help me to find out the real problem.
01 August 2024 589 4 View
I am using a Bruker 600M solid-state NMR spectrometer with a Micro 2.5 microimaging system. The test sample is a tube of 1M LiCl aqueous solution, and the nucleus detected is 1H. I am trying to...
01 August 2024 9,227 1 View
Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...
30 July 2024 9,824 2 View
N=6 Comparing pre and post test likert scale responses. Participants are mix of practicing & preservice teachers.
30 July 2024 7,233 4 View
Hello, I'm trying to measure the conductivity of semiconductor films but since I don't have a commercial four point probe set up I would like to build one on my own in my lab. I have generators,...
30 July 2024 906 2 View
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
I am seeking experimental or applicable data for the liner (LLDPE) interface in FLAC3D numerical modeling of a large stockpile. Could you please recommend suitable references? The preferred data...
05 August 2024 3,665 0 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
The first step is to analyze a 2D molecular graph and implement partitioning techniques to calculate the topological indices. Secondly impose statically tools to generate QSPR model, may or may...
24 July 2024 9,644 1 View
Dear All, I use Quantum Espresso. I want to optimize the structure of the carbon nanotube using the vc-relax. I got confused about how to fix cell_dofree here. For 3D, cell_dofree = 'all' or...
22 July 2024 5,708 0 View
Hello, I have a problem in classification of "Additive Manufacturing" techniques. There are several classification for Additive Manufacturing e.g. Powder, Extrusion, Resin etc. Actually, I am OK...
15 July 2024 139 3 View
Anyone kindly tell the name of software that make this graph quickly and also tell how we add vertices or lines in this graph with equal distance to get next dimensions of this graph ( i mean how...
11 July 2024 4,499 2 View
Les géopolymères offrent plusieurs propriétés intéressantes qui peuvent être exploitées dans diverses applications innovantes : 1. Construction durable : - Bétons à faible empreinte carbone -...
10 July 2024 7,457 1 View
I want to reduce simulation time in CST for frequency domain solver by upgrading my computer. I already have discrete GPU but it doesn't seem to make any difference at all compared to integreted...
10 July 2024 2,789 4 View
I have a 3D output in the figure section of Matlab, does anyone know a way to transfer it to Abaqus or Ansys? Or in what format should I save it so that these analysis software can analyze it?
09 July 2024 9,226 3 View