Will it crystallise? Predicting crystallinity of molecular materials
<p>Predicting and controlling crystallinity of molecular materials has applications in a crystal engineering context, as well as process control and formulation in the pharmaceutical industry. Here, we present a machine learning approach to this problem which uses a large input training set wh...
| Principais autores: | , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado em: |
Royal Society of Chemistry
2014
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