Molecular Descriptor Correlations [32|64bit]

 

 

 

 

 

 

Molecular Descriptor Correlations Crack+ Download [2022]

The software is able to perform analysis of large-scale molecular data sets. It works with several descriptor types, which you can change from the settings window:

Polarizable Field, which includes Physical Field and Energy Field descriptors

Atom-centered Field, which includes Topological Charge Field and Total Energies Field descriptors

Chain Field, which includes Topological Charge Field and Sum of atomic Electron Affinities Field descriptors

Three Field Mode allows the user to select the specific fields:

Full-Molecular Descriptors or Atom-centered, which includes all descriptors

Field-Only, which includes all descriptors except Polarizable Field, Atom-centered Field, Chain Field, or Three Field Mode

1. QSAR Modeling

Molecular Descriptors Correlations in QSAR Modeling allows creating correlation models with virtually any descriptors and for any molecular descriptor types.
Create your model with several selectable cross-validation techniques. The application will then determine the best model, based on the selected cross-validation technique.

2. Molecular Descriptor Correlations Analysis

Molecular Descriptors Correlations Analysis allows working with any of your models in order to perform analyses with different descriptors. You can select the molecules in a table and check the descriptors for which it is possible to find correlations.
The application allows you to interact with the selected molecules, creating new models, and selecting different molecular descriptors types and descriptor correlations.

3. Download Molecule Descriptors Correlations

Molecular Descriptors Correlations allows you to download selected molecular descriptors in a csv format that can be opened in spreadsheets.

4. Molecular Descriptors Correlations Options

Molecular Descriptors Correlations allows customizing your analysis with the following options:

Please note that the software does not perform any calculations, it only analyzes the data.

You are encouraged to help us by reporting bugs and suggesting new features.

Reviews

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Molecular Descriptor Correlations Crack + Torrent (Activation Code) X64

Why Molecular Descriptors Correlations?

A brief overview of Molecular Descriptor

Molecular descriptors, also called 2D, 3D, or 4D descriptors, are physico-chemical descriptors (or features) that are calculated from the molecular structure. They can be used to make calculations on properties, such as melting points, boiling points, IR intensities, charges, acidity constants, polarizability, dipole moments, etc. The process of defining the features from the molecular structure is referred to as 2D or 3D molecular structural descriptors.

Molecular descriptors are commonly used in chemical compound screening to identify potential compounds which may show the same or a similar activity. They are also used to select a specific compound to further study the activity, estimate the biological risk, predict the biological properties, determine the toxic and side effects or decide the fate of the compound, among many other uses.

Thus, as you can see, molecular descriptors are extremely useful and are applicable in many different fields of science. This application is designed specifically to assist you with the analysis of molecular descriptors.

Working with the Descriptor Correlation

Just a basic overview of the work with Molecular Descriptor Correlations.

Select the molecule you want to analyze and check the Correlation values for the selected descriptors.

Simply click on the Descriptor to view the Descriptor Information, or click on the Statistics tab to view the Descriptor Statistics.

Click on the Open a file tab to open the descriptor in an editor.

Click on the Save as tab to save the descriptor in a file format that is acceptable to your own program or software.

*The application is compatible with Microsoft Windows 7 and above, and requires Java SE 6 or above.

Select the molecule you want to analyze and check the Correlation values for the selected descriptors.

Simply click on the Descriptor to view the Descriptor Information, or click on the Statistics tab to view the Descriptor Statistics.

Click on the Open a file tab to open the descriptor in an editor.

Click on the Save as tab to save the descriptor in a file format that is acceptable to your own program or software.

*The application is compatible with Microsoft Windows 7 and above, and requires Java SE 6 or above.

Calculating Molecular Descriptors

Once you have selected your
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Molecular Descriptor Correlations For Windows

Molecular Descriptor Correlations is a correlation tool used to analyze molecular descriptors. You can create your own set of descriptors or use the built-in set of Molecular Descriptors. You can use the linear correlation, as well as the multiple regression or multiple linear regression analysis method.
This software is a great tool to obtain the number of molecular descriptors correlated to a specific molecular descriptor.
Additionally, you can apply a cut-off correlation coefficient to limit the analysis to those descriptors with the highest correlation coefficient, with a lower correlation coefficient or even negative correlation coefficient.
This tool also offers a statistical analysis of the correlation data for each selected molecule or all molecules selected.
If you are interesting to know which descriptors are related to a specific molecular descriptor, you can use the molecule > molecular descriptor > select descriptors.
Moreover, you can select the correlation method to apply to your data set.
You can also visualize the best selected descriptors in the molecule > compound view.
Finally, you can select from several thresholds for the correlation coefficient to obtain the list of descriptors correlated with a selected molecular descriptor.
What’s New:
The application has been improved with new features to make it even better.
Molecular Descriptor Correlations:
Version 1.0
– Compatible with macOS 10.13 or later.
– Fixed some issues.
– Fixed some bugs and performances issues.

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What’s New in the Molecular Descriptor Correlations?

Similar software shotlights:

Similar software, catalog and utilities

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible to evaluate by taking into account the values of the masses of the molecule and the ionization potential.Similar software, catalog and utilities…

Similar software shotlights

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible to evaluate by taking into account the values of the masses of the molecule and the ionization potential.Similar software shotlights…

Similar software shotlights

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible to evaluate by taking into account the values of the masses of the molecule and the ionization potential.Similar software shotlights…

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible to evaluate by taking into account the values of the masses of the molecule and the ionization potential.Similar software shotlights…

Similar software shotlights

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible to evaluate by taking into account the values of the masses of the molecule and the ionization potential.Similar software shotlights…

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible to evaluate by taking into account the values of the masses of the molecule and the ionization potential.Similar software shotlights…

Molecular Descriptor Correlations – In this version, the geometrical information was evaluated by descriptors such as Sums, Absolute values, Relative values, and their chemical shifts were calculated by the same way as in the version 3.0. Also, it is possible

System Requirements:

General:
Windows® 8/8.1/10
Mac OS X® 10.10/10.11/10.12
Internet Explorer® 7 or higher
Minimum:
Adobe® Flash® Player
GeForce® GeForce® GTX 700 Series and higher
AMD Radeon® HD 7000 Series or higher
Intel® Core™ i5-4590 or higher
Ubuntu® (64-bit only)
AMD® FX-Series CPU (Ryzen) and higher
Intel® Core™ i3

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