Tutorial of the simple regression model of QSAR for drugs by MolAICal

1. Introduction
The quantitative structure-activity relationship (QSAR) models are regression or classification models used in drug design. In this tutorial, the simple regression model of QSAR is introduced based on the ligands of signal transducer and activator of transcription 3 (STAT3) protein which is considered as a potential drug target of cancer. Here, MolAICal (https://doi.org/10.1093/bib/bbaa161) is employed for this tutorial.

2. Materials
2.1. Software requirement
1) MolAICal: https://molaical.github.io
2) DRAGON: http://www.talete.mi.it/index.htm
Note: You can use any molecular descriptor calculator besides DRAGON software for this tutorial.

2.2. Example files
1) All the necessary tutorial files are downloaded from:
https://github.com/MolAICal/tutorials/tree/master/006-QSAR

For more detailed procedures, please go to https://molaical.github.io, and click the section named "Tutorials" in the left part of webpage. Once "Tutorials" open, you can freely find pdf file about this tutorial (see Figure 1):

                                                        Figure 1


You can repeat this tutorial according to the content of pdf file.