Cheminformatics is a computer and information technique used to solve problems in a field of chemistry. In cheminformatics in silico technique are used in the pharmaceutical companies in the process of drug discovery. Analyses and modelling contain a variety of computational technique that aimed to be simulating molecular structure and their properties. Visualizing the molecules of different modes which are analysed to identify the merging molecules, super imposing molecules and space and bonds of individual molecules. In chemical toxicology used to test the toxicity chemicals and giving information about the potency and effects. Computer assisted synthesis design technique used to design, discover, and optimize the desired structure and properties.