Computational Chemistry and Chemi informatics

Computational Chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures and properties of molecules and materials. Computational Chemistry is also used to describe the computational techniques aimed at understanding the structure and properties of molecules and materials. This uses Schrodinger eqautions.

Cheminformatics uses informational techniques and computer to a long range of  questions in the field of chemistry. This is an insilico technique used, for example, in pharmaceutical companies in the process of drug discovery. These methods are also  used in chemical and allied industries in various other forms. Also deals with graph mining, molecule mining etc.

  • Chemoinformatics and its applications
  • Cheminformatics tools for drug discovery
  • Quantitative structure activity relationship
  • Bioinformatics

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