Cheminformatics and Computational Chemical Biology

Cheminformatics Tools For Drug Discovery

Submit Abstract Register Now

The chemical modelling is used as cheminformatic tools for drug discovery including computational chemistry, computational biology and material science. Chemical modelling encompasses all theoretical methods and computational techniques used to model or mimic the behaviour of molecules. Cheminformatics combines the scientific working fields of chemistry, computer science and information science for example in the areas of topology, chemical graph theory, information retrieval and data mining in the chemical space. Computers as science have changed the face of science so that scientists are no longer constrained to doing just experiment based or theoretical research. Now scientists can enter results and data into a computer and the computer, utilizing mathematics and abiding by the physical laws, can recreate a virtual physical world right on the computer screen.