Reliable method for predicting the binding affinity of RNA-small molecule interactions using machine learning

Sowmya Ramaswamy Krishnan, Arijit Roy^#, M. Michael Gromiha^#

NOTE: This code should be used for academic purposes only. This code should not be shared or used for commercial purposes without the consent of all the authors involved.

Description: Python implementation of the programs used for development of the models hosted in RNA-Small molecule binding Affinity Predictor (RSAPred) web server

Usage restrictions

The code has been provided for academic purposes only.

Data

The sample datasets used for training and evaluating the models are provided in the data folder. In order to use your own data or the complete dataset, you have to prepare the datasets in the format provided for each case to train/test the models. To get the complete datasets used in the study, please visit the R-SIM database.

Code usage

Instructions on code usage are available in a README.md file within each folder (links also provided below).

• Dataset pre-processing
• Feature selection
• Model evaluation

For further queries related to code usage, please write to us (sowmya.rk1@tcs.com; roy.arijit3@tcs.com; gromiha@iitm.ac.in).

Citation

Please cite this article if you use the codes in this repository for your research: https://doi.org/10.1093/bib/bbae002