论文信息 - Determination of Screening Descriptors for Chemical Reaction Databases

Determination of Screening Descriptors for Chemical Reaction Databases

The development of chemical reaction databases has become crucially important for many chemical synthesis laboratories. However the size of these databases has dramatically increased, leading consequently to perfect more and more powerful search engines. In this sense, the speed and the efficiency of screening processes of the chemical information are essential criteria. Looking forward for powerful algorithms dedicated to information retrieval in chemical reaction databases, we have thus developed several new graph descriptors to find efficient indexation and classification criteria of chemical reactions.

Daniel P. Vercauteren | Laurence Leherte | Laurent Dury

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