Cheminformatics and Computational Chemical Biology

Fundementals of cheminformatics

Cheminformatics is the use of computer and informational techniques, applied to a range of problems within the field of chemistry. conjointly referred to as chemoinformatics and chemical Informatics. These in silico techniques square measure utilized in pharmaceutical firms within the method of drug discovery. Cheminformatics combines the scientific operating fields of chemistry and engineering for instance within the space of chemical graph theory and mining the chemical area. It's to be expected that the chemical area contains a minimum of 1062 molecules. Calculation of Quantitative Structure Activity Relationship and Quantitative Structure Property Relationship values, accustomed predict the activity of compounds from their structures. Cheminformatics tools square measure software system development kits that allow cheminformaticians to develop customcomputer applications to be used in virtual screening, chemical information mining, and structure-activity studies. Tools square measure usually used for experimentation with new methodologies. Their most significant functions alter the manipulation of chemical structures and comparisons between structures. Programmatic access is provided to properties of individual bonds and atoms.