- PII
- 10.31857/S0044460X24100058-1
- DOI
- 10.31857/S0044460X24100058
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 94 / Issue number 10
- Pages
- 1058-1068
- Abstract
- Three schemes of interclass prediction of the activity of a number of bipharmacophoric butyrylcholinesterase inhibitors were studied using QSAR modeling. Using machine learning methods (multiple linear regression, random forest, support vector machine and Gaussian process), QSAR models with satisfactory statistical characteristics were constructed. Based on them, rational and random interclass prediction schemes were studied. It was found that these schemes complement each other and their relative efficiency was assessed.
- Keywords
- межклассовый прогноз активности бутирилхолинэстераза QSAR
- Date of publication
- 15.10.2024
- Year of publication
- 2024
- Number of purchasers
- 0
- Views
- 39
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