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In silico computer-based modeling technologies have also been applied in: Whole cell analysis of prokaryotic and eukaryotic hosts e.g. E. coli, B. subtilis, yeast, CHO- or human cell lines; Discovery of potential cure for COVID-19. [11] Bioprocess development and optimization e.g. optimization of product yields
Accurate computer models of a treatment and its deployment, as well as patient characteristics, are necessary precursors for the development of in silico clinical trials. [5] [6] [8] [9] In such a scenario, ‘virtual’ patients would be given a ‘virtual’ treatment, enabling observation through a computer simulation of how the candidate biomedical product performs and whether it produces ...
There are numerous reasons why in silico medicine is used. For example, in silico medical modeling can allow for early prediction of success of a compound for a medicinal purpose and elucidate potential adverse effects early in the drug discovery process. [6] In silico modeling can also provide a humane alternative to animal testing. [2]
The company "applies DL, big data, and genomis for in silico drug discovery" for various conditions. [3] It has sought to develop AI to "identify novel drug targets for untreated diseases", and has pursued dual-purpose therapeutics, "going after a specific disease or several diseases while targeting ageing at the same time".
The phrase "drug design" is similar to ligand design (i.e., design of a molecule that will bind tightly to its target). [6] Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, and side effects, that first must be optimized before a ligand can become a safe and effictive drug.
Cheminformatics has been an active field in various guises since the 1970s and earlier, with activity in academic departments and commercial pharmaceutical research and development departments. [2] [page needed] [citation needed] The term chemoinformatics was defined in its application to drug discovery by F.K. Brown in 1998: [3]
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