Applying support-vector machine learning algorithms toward predicting host-guest interactions with cucurbit[7]uril
Machine learning is a valuable tool in the development of chemical technologies but its applications into supramolecular chemistry have been limited. Here, the utility of kernel-based support vector machine learning using density functional theory calculations as training data is evaluated when used...
| Main Authors: | , , |
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| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC),
2020-09-09T18:55:26Z.
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| Subjects: | |
| Online Access: | Get fulltext |