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A publicly available crystallisation data set and its application in machine learning

2017

期刊 CrystEngComm

作者 Max Pillong · Corinne Marx · Philippe Piechon · Jerome G. P. Wicker · Richard I. Cooper · Trixie Wagner

A publicly available crystallisation database for clusters of highly similar compounds is used to build machine learning models.

卷 19
期 27
页码 3737-3745
Royal Society of Chemistry (RSC)
ISSN: 1466-8033
DOI: 10.1039/c7ce00738h