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Chemoinformatics refers to the study of vast quantities of chemical information. It is also known as cheminformatics and chemical informatics. The link between chemical structure, chemical characteristics, and molecular activity can be examined using this data. It is done with the help of computers, software and simulations. Pharmaceutical companies employ these techniques to discover novel drugs. New drug development is a time-consuming procedure. Chemoinformatics has aided in speeding up the process of drug development. Some of the techniques used within this field are virtual screening, in silico ADMET and high throughput screening. This book aims to present researches in the area of chemoinformatics that have aided in the advancement of pharmaceutical sciences. It is a vital tool for all researching or studying this area of pharmaceutical science as it gives incredible insights with respect to recent trends.