From 07504c8cdedd3547e61b8a5985c627fb21cd92ed Mon Sep 17 00:00:00 2001
From: andresilvapimentel
 <79097989+andresilvapimentel@users.noreply.github.com>
Date: Thu, 8 Dec 2022 19:44:16 -0300
Subject: [PATCH] Update README.md

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 # SARAlerts
 SARAlerts is a code to generate structural alerts (toxic alerts) using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from Tox21, Clintox, and Sider datasets.
 SARAlerts means Serious Adverse Reaction Alerts
+
+The SARAlerts framework is highly versatile (coded in Google Colab), with options that can be further developed and optimized by the users: it can accept any user-defined datasets (or datasets available in MoleculeNet repository), can use different fingerprints, data splitters, cross-validation methods, and any classification model from DeepChem library.
+
+There are two complementary codes to analyze the data generated from SARAlerts: Toxic_alert_list_???.ipynb and Molecular_filtering.ipynb
+
+The Clintox and Sider datasets are provided in two xlsx files: clintox.xlsx and sider.xlsx
+The Tox21 dataset is upload using DeepChem tools. DeepChem tools may also be used to upload any dataset in MoleculeNet or user-defined datset. 
+
+# Installation instructions
+
+SARAlerts is 100% compatible with Google Colab platform developed in Microsoft Windows using Python version 3.8.
+
+SARAlerts has the following dependencies: Lime, RDkit, DeepChem, Pandas, Matplotlib, Statistics, xlsxwriter, and dataframe-image.
+
+# Documentation
+
+The complete documentation about how to run the SARAlerts protocol and several tutorials is being developed.
+
+# Get help
+
+SARAlerts is being actively developed and some issues may arise or you may need extra help to run SARAlerts. In those cases, there are two main ways to get help:
+
+1) Open a new issue in this repository
+Or 
+2) write an email to André Silva Pimentel (a_pimentel@puc-rio.br) (I will do our best to answer your questions as soon as possible).
+
+# License
+
+SARAlerts is available under MIT License. See license document for more details.