The widespread acceptance and use of electronic lab notebooks (ELNs) in industry and increasingly in academia has led to increased efficiency, accuracy and data capture of valuable information about synthetic efforts – both successful and unsuccessful. This in turn has created large collections of data on syntheses, but exploiting this mass of data has been difficult with traditional data search, extraction, organization and analysis tools. In this paper we will describe methods using modern data analysis and visualization tools to rapidly sift through the accumulated data to quickly discern optimal synthetic routes and reaction conditions, thereby saving chemists time that can be more productively spent in the lab.

Mining electronic lab notebooks for synthetic needles (or gems)

249th National Meeting (2015)

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