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This package facilitates developing Quantitative Structure-Activity Relationship (QSAR) models using the SEND database. It streamlines data acquisition, preprocessing, descriptor calculation, and model evaluation, enabling researchers to efficiently explore molecular descriptors and create robust predictive models.

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aminuldu07/SENDQSARpy

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SENDQSARpy

SENDQSARpy is a python package to generateQSAR model from SEND data…

Overview

The goal of SENDQSARpy is to …

Installation

You can install the development version of SENDQSARpy from GitHub with:

# install.packages("devtools")
devtools::install_github("aminuldu07/SENDQSAR")

Example

need to fill up the descriptons here :

library(SENDQSARpy)
## basic example code

What is special about using :

You can also embed plots, for example:

In that case, don’t forget to commit and push the resulting figure files, so they display on GitHub and CRAN.

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This package facilitates developing Quantitative Structure-Activity Relationship (QSAR) models using the SEND database. It streamlines data acquisition, preprocessing, descriptor calculation, and model evaluation, enabling researchers to efficiently explore molecular descriptors and create robust predictive models.

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