Q_polarity_calc: Moleculors Q polarity index
In FedericoViv/Moleculors:
Description
Usage
Value
Examples
View source: R/twoD_descriptor_V01.R
Description
This function define the Q polarity index of the input molecule as:
Q = ' A^2 sumIrefskeleton/sumI^2 '
where A is the numbero of atoms in the H suppresed input, Irefskeleton is the
intrinsic state of each atom in the reference alcane chain and I is the intrisic state
in the actual molecule. Q lies between to boundary value, one of total polarity approximated
by the square of the number of atoms A and one of zero polarity given by the sp3 skeleton
Usage
1
Value
Q polarity index for the input molecule. Value is stored in Ouput_descp environment.
Examples
1
FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.
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Description Usage Value Examples
View source: R/twoD_descriptor_V01.R
Description
This function define the Q polarity index of the input molecule as: Q = ' A^2 sumIrefskeleton/sumI^2 ' where A is the numbero of atoms in the H suppresed input, Irefskeleton is the intrinsic state of each atom in the reference alcane chain and I is the intrisic state in the actual molecule. Q lies between to boundary value, one of total polarity approximated by the square of the number of atoms A and one of zero polarity given by the sp3 skeleton
Usage
1 |
Value
Q polarity index for the input molecule. Value is stored in Ouput_descp environment.
Examples
1 |
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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