(searched for: doi:10.1016/j.cad.2010.08.005)
Ocean Engineering, Volume 216; https://doi.org/10.1016/j.oceaneng.2020.107826
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Future Medicinal Chemistry, Volume 3, pp 399-403; https://doi.org/10.4155/fmc.11.16
Drug discovery involves the simultaneous optimization of chemical and biological properties, usually in a single small molecule, which modulates one of nature’s most complex systems: the balance between human health and disease. The increased use of computer-aided methods is having a significant impact on all aspects of the drug-discovery and development process and with improved methods and ever faster computers, computer-aided molecular design will be ever more central to the discovery process.