Cheminformatics & Computational Chemistry


Cheminformatics referred to as chemical informatics or Chemoinformatics and focuses on storing, indexing, searching, retrieving and applying information about chemical compounds. Cheminformatics authority fetch information about spectroscopic signatures, physical properties, 3D molecular crystal structures, molecular functional groups, chemical reaction pathways, docking sites and other parameters some of which require advanced information storage and retrieval technologies with the help of chemical names and formulas.

Computational chemistry is a product of the digital age. Computational chemistry is differing from computer science, although professionals in the two fields commonly collaborate. It uses different methods of theoretical chemistry, incorporated into efficient computer programs to calculate the structures and properties of molecules and solids. Computational results complement the information obtained by chemical experiments; in some cases predict to unobserved chemical phenomena. It is used in materials and new drugs designing.