Comparison of Large Chemical Spaces.
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DOI: 10.1021/acsmedchemlett.9b00331
Abstract: Chemical libraries are commonplace in computer-aided drug discovery, and assessing their overlap/complementarity is a routine task. For this purpose, different techniques are applied, ranging from exact matching to comparing physicochemical properties. However, these techniques are… read more here.
Keywords: chemical spaces; comparison large; chemistry; large chemical ... See more keywords