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Jun 24, 2015 · A good P450 prediction (classification) model should minimize the possibility of misclassifying both active and inactive compounds. Therefore, ...
In this study, we utilized a rule-based C5.0 algorithm with different descriptors, including PaDEL, Mold(2), and PubChem fingerprints, to construct rule-based ...
The five most significant rules for CYP inhibition were identified for each CYP enzymes and discussed. An example was chosen for each of the five CYP enzymes to ...
Jun 24, 2015 · In this study, we utilized a rule-based C5.0 algorithm with different descriptors, including PaDEL, Mold2, and PubChem fingerprints, to ...
A rule-based CYP inhibition prediction online server, CypRules, was created based on predictive models generated by the rule-based C5.0 algorithm.
This study utilized a rule-based C5.0 algorithm with different descriptors, including PaDEL, Mold(2), and PubChem fingerprints, to construct rule- based ...
Jun 1, 2015 · A rule-based CYP inhibition prediction online server, CypRules, was created based on predictive models generated by the rule-based C5.0 algorithm.
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Sep 15, 2021 · A large number of machine learning models for predicting the inhibition of the major CYP isozymes by small molecules are available.
Class: CYP3A4 inhibitor. Top five significant rules. Value. Number of primary amine groups (aromatic) > 0. 2. Number of carboxyl group (aliphatic) <= 0. 0.
CYP enzymes can be inhibited or induced by various drugs or chemical compounds. In this work, a rule-based CYP inhibition prediction online server, CypRules, ...