2020
DOI: 10.31219/osf.io/vhjmy
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Ben Geoffrey

Abstract: The rise in application of methods of data science and machine/deep learning in chemical and biological sciences must be discussed in the light of the fore-running disciplines of bio/chem-informatics and computational chemistry and biology which helped in the accumulation ofenormous research data because of which successful application of data-driven approaches have been made possible now. Many of the tasks and goals of Ab initio methods in computational chemistry such as determination of optimized structure a…

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