Hidden descriptors: Using statistical treatments to generate better descriptor sets
The application of artificial intelligence to chemistry usually focuses on the identification of good correlations between descriptors and a given property of interest. The descriptors often come from arbitrary sets, with the implicit assumption that the evaluation of a sufficiently wide range of de...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
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| Series: | Artificial Intelligence Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949747724000198 |