From molecular diagrams to material properties: investigation of data-driven tools and strategies in the field of Chemoinformatics
The field of Chemoinformatics has enabled QSAR/QSPR predictive models useful for the rapid virtual assessment of compounds or mining knowledge that may contribute towards the understanding of chemical systems. However, scepticism remains about the practical value of these approaches: models often ex...
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| Format: | Thesis |
| Language: | English |
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2021
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