The current limits in virtual screening and property prediction.
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DOI: 10.4155/fmc-2017-0303
Abstract: Beyond finding inhibitors that show high binding affinity to the respective target, there is the challenge of optimizing their properties with respect to metabolic and toxicological issues, as well as further off-target effects. To reduce… read more here.
Keywords: virtual screening; property prediction; limits virtual; screening property ... See more keywords