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Computational Techniques in Chemoinformatics: A Review

Neha Verma, Usha Chouhan

Abstract


Chemoinformatics is a field of science which deals with the study of all aspects of the representation and use of chemical and related biological information on computers for making sounder decisions faster in the area of drug lead identification and optimization. Chemoinformatics plays an important role in the field of drug discovery research by improving the identification of drug candidates with less time and low investment along with small animal scarification. Virtual screening, structural activity relationship (SAR), pharmacophore mapping, molecular docking and molecular dynamics are already proved vital chemoinformatics techniques to optimize the drug candidates. This review gives a brief introduction about the most commonly used chemoinformatics techniques.

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References


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DOI: https://doi.org/10.37628/ijcbb.v1i1.803

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