generate_descriptors_from_sdf: Generate Molecular Descriptors from SDF File
In rQSAR: QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest
View source: R/Descriptors-generation.R
generate_descriptors_from_sdf R Documentation
Generate Molecular Descriptors from SDF File
Description
This function reads an SDF (Structure Data File) containing molecular structures and calculates molecular descriptors for each molecule.
Usage
generate_descriptors_from_sdf(sdf_file)
Arguments
sdf_file
Path to the SDF file.
Value
A matrix containing molecular descriptors for each molecule in the SDF file.
rQSAR documentation built on May 29, 2024, 5:16 a.m.
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View source: R/Descriptors-generation.R
| generate_descriptors_from_sdf | R Documentation |
Generate Molecular Descriptors from SDF File
Description
This function reads an SDF (Structure Data File) containing molecular structures and calculates molecular descriptors for each molecule.
Usage
generate_descriptors_from_sdf(sdf_file)
Arguments
sdf_file |
Path to the SDF file. |
Value
A matrix containing molecular descriptors for each molecule in the SDF file.
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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