Programming tools
Besides data sources, the Probes & Drugs portal uses a lot of free open-source programing tools. The server side of the portal is based primarily on the Python programming language with Django web framework and PostgreSQL database.
In the table below, some of the most important used tools and programming libraries with a short description are mentioned:
Cheminformatics tools
Description
RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
ChemSpiPy provides a way to interact with ChemSpider in Python. It allows chemical searches, chemical file downloads, depiction and retrieval of chemical properties.
This is a tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
This package implements python client for accessing ChEMBL webservices. It provides convenient interface to access data, cache results and optionally executes requests in asynchronous manner.
Ketcher is a web-based chemical structure editor.
PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical properties.
Visualizations
Description
InCHlib (Interactive Cluster Heatmap library) is an open source interactive Javascript library which provides an easy way to display and analyze hierarchically clustered data and cluster heatmaps.
2d html5 canvas framework for desktop and mobile applications.
ChemSpace.js is an open source interactive Javascript library which provides an easy way to display and analyze compound sets in the form of 2D space within a web page.
Highcharts is a charting library written in pure JavaScript, offering an easy way of adding interactive charts to your web site or web application.
Other tools
Description
jQuery is a fast, small, and feature-rich JavaScript library. It makes things like HTML document traversal and manipulation, event handling, animation, and Ajax much simpler with an easy-to-use API that works across a multitude of browsers.
Underscore is a JavaScript library that provides a whole mess of useful functional programming helpers without extending any built-in objects.
Font Awesome gives you scalable vector icons that can instantly be customized — size, color, drop shadow, and anything that can be done with the power of CSS.
A platform detection library that works on nearly all JavaScript platforms.
jQuery UI is a curated set of user interface interactions, effects, widgets, and themes built on top of the jQuery JavaScript Library.
Modern copy-to-clipboard javascript library.
tipsy is a simple jQuery plugin for generating Facebook-style tooltips.
BitSet.js is a infinite Bit-Array implementation in JavaScript.
JavaScript library to build product tours with Bootstrap Popovers.
