QSARDW is an open source web-based tool that provides a standardized workflow for creating, cleaning, reviewing and sharing a chemical database. Although it is intended to be used for cleaning datasets for QSAR calculations it really can be used for removing duplicates in every chemical dataset.

The frontend application is the user interface of the system.

The frontend is fully tested with Ubuntu 14.04 LTS with the standard packages. It requires:

• Apache web server 2.4.x
• PHP 5.5.x (php5-fpm is suggested for better performance)
• Mysql 5.5.x

The setup process assumes that the frontend will be installed under the /qsardw root folder. If you want to use another root folder you should modify the base configuration and scripts.

sudo mkdir /qsardw

cd /qsardw
sudo git clone https://github.com/qsardw/qsardw-frontend.git
sudo chown -R www-data.www-data qsardw-frontend

cd /qsardw/qsarw-frontend
sudo bash create-folders.sh

cd /qsardw/qsarw-frontend
sudo cp sample-virtualhost.conf /etc/apache2/sites-available/qsardw.conf

cd /etc/apache2/sites-available
sudo vim qsardw.conf

You should change the values of ServerAdmin and ServerName in order to set the proper values for your installation

For example

...
ServerAdmin admin@qsardw.org
ServerName app.qsardw.org
...

cd /qsardw/qsardw-frontend/resources/sql
mysql -u root -p < qsardw.sql

mysql -u root -p -D qsardw

mysql> GRANT ALL PRIVILEGES ON qsardw.* TO 'qsardw_owner'@'127.0.0.1' IDENTIFIED BY 'yoursecretepassword';
mysql> GRANT ALL PRIVILEGES ON qsardw.* TO 'qsardw_owner'@'localhost' IDENTIFIED BY 'yoursecretepassword';

You should change yoursecretpassword with a valid and secure password for your installation.

sudo vim /qsardw/qsardw-frontend/config/production.php

You should change the values of user and password properties with values used in the previous step.

    'user'=> 'qsardw_owner',
    'password'=> 'yoursecretepassword',

sudo a2ensite qsardw.conf
sudo service apache2 reload

See qsardw-backend project to install backend services and job scheduler