Capturing And Applying Knowledge To Guide Compound Optimisation
Drug Discovery Today(2018)
摘要
•Knowledge transfer between scientists is key to drug discovery optimisation.•Computers can store a vast corpus of knowledge across many domains.•Synthetic strategies from previous projects can be applied to generate relevant ideas.•SAR and multi-parameter objectives can prioritise ideas for experts’ consideration.•Supplementing scientists’ experience helps to rigorously explore new strategies.
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