REALSpace is a virtual chemistry space that was built up in a collaboration between BioSolveIT and Enamine. It consists of 650,000,000 readily accessible compounds, that can virtually be searched by FTrees, giving access to physico-chemically similar molecules to a search query. The space consists of 102 very well validated chemical reactions and equally very well validated building blocks, such that the hits from a virtual search can be synthesized within 3 weeks’ time at 80% hit rate or better.<br/>However, 650,000,000 molecules in today’s data driven times is still relatively small a space.<br/>We will present ways beyond the 650,000,000, where it is possible to venture into the billions and trillions of compounds, all readily accessible through synthesis, because it is the nature of the FTrees hits that they are associated with their chemical reaction protocol, all within a very manageable search time of 5-10 min, depending on the complexity of the search query.

Going beyond REALspace: Synthetic access to the chemical universe

256th National Meeting (2018)

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