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. It implements a raster-based HTML5 canvas visualization using the open source Javascript framework KonvaJS. ChemSpace.js is multiplatform and works in all major internet browsers (Internet Explorer, Mozilla Firefox, Google Chrome, Safari, Opera). Its speed is determined by the client’s hardware and internet browser. For smoothest user experience, we recommend Google Chrome.
ChemSpace.js capabilities are demonstrated in the example below.
The displayed data set consists of the coordinates for the chemical space network (CSN), and 7 physico-chemical and structural properties of 2124 Glucocorticoid receptor (GR) ligands obtained from the ChEMBL database. The ligand properties are: molecular weight, the number of hydrogen-bond donors/acceptors, rotatable bonds, rings, aromatic rings, calculated logarithm of the octanol-water partition coefficient (cLogP), and topological polar surface area (TPSA). Each ligand is also characterized by its Potency value (the logarithm of inhibition, activation or equilibrium dissociation constant).