Drug discovery and molecular modeling using artificial intelligence
Henrik Bohr, Chemical Engineering, Technical University of Denmark, Lyngby, Denmark
Abstract
Machine learning has been of great use for drug discovery and drug design recently. It is hard to find a general algorithm or simple principles for designing drugs to specific cellular processes since they are strongly depending on the many molecules and their structure participating in the particular target processes. Designing new drugs has mostly been a matter of preclinical studies where drug molecules are tested in vitro and in vivo experiments in animals and cellular tissues and with a subsequent data selection and interpretation study. In recent years, these preclinical ...
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