Back-end:
Made in Python. Contains forms.py with the functions of making the interactions list with pchembl value using the external database ChEMBL, the function of the interactive plotly graph, and the one which search information in ChEMBL from a certain name.
API-Rest.py contains the GET methods of differents URL for the different functionalities.
Front-end:
The folder static has a simple CSS sheet. The folder templates has an unique HTML5 sheet that uses W3S tabs for using different tabs. All the parts have been modeled with Bootstrap (with the posibility of adding a Bootstrap stylesheet and everything with work automatically). Utilities.js contains the JavaScript code to obtain information from HTML, and make AJAX calls to asynchronously send the response to the client side without having to refresh all the page with every change.
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datahas some csv examples to try in the application. -
BD_proteins_and_drugscontiene el script SQL de creación de la BD con las tablas de proteinas y drogas disponibles.
Needed python libraries:
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For the API: flask, flask_resftul, mysql.connector, json, forms, gevent and flask_cors.
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For the CSV and ChEMBL calls: chembl_webresource_client.new_client, csv, mysql.connector.
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For the interactive plotly graph: pandas, networkx, matplotlib.pyplot, graphviz and pygraphviz.