Quantitative Structure-toxicity Relationship (QSTR) models were built to evaluate the toxicity of lignocellulose-derived phenolic inhibitors on the growth of Saccharomyces cerevisiae in a bioethanol production process. The established models were proved to be reliable after rigorous validation and showed values of R2 > 0.6 and Q2LOO > 0.5. They could provide accurate guidance for alleviating the most toxic inhibitors in pretreated lignocellulosic hydrolysates, thus facilitating bioethanol production. The results showed that the inhibitors that possessed unsaturated bonds, formyl groups and carbonyl group substituents showed obvious toxicity effects. The toxicity of the inhibitors with ortho-electron-withdrawing substituents was stronger than that of metra- or para-electron-donating substituents. Ferulic acid was chosen to analyze its toxicity in practical alkali-pretreated rice straw hydrolysates because of its strong toxicity and high concentration. The results showed that its toxicity was up to 82%, which was suggested to be dominantly detoxified in the bioethanol production process.
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| Evidence ID | Analyze ID | Gene/Complex | Systematic Name/Complex Accession | Qualifier | Gene Ontology Term ID | Gene Ontology Term | Aspect | Annotation Extension | Evidence | Method | Source | Assigned On | Reference |
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| Evidence ID | Analyze ID | Gene | Gene Systematic Name | Phenotype | Experiment Type | Experiment Type Category | Mutant Information | Strain Background | Chemical | Details | Reference |
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| Evidence ID | Analyze ID | Gene | Gene Systematic Name | Disease Ontology Term | Disease Ontology Term ID | Qualifier | Evidence | Method | Source | Assigned On | Reference |
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| Evidence ID | Analyze ID | Regulator | Regulator Systematic Name | Target | Target Systematic Name | Direction | Regulation of | Happens During | Regulator Type | Direction | Regulation Of | Happens During | Method | Evidence | Strain Background | Reference |
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| Site | Modification | Modifier | Source | Reference |
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| Evidence ID | Analyze ID | Interactor | Interactor Systematic Name | Interactor | Interactor Systematic Name | Allele | Assay | Annotation | Action | Phenotype | SGA score | P-value | Source | Reference | Note |
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| Evidence ID | Analyze ID | Interactor | Interactor Systematic Name | Interactor | Interactor Systematic Name | Assay | Annotation | Action | Modification | Source | Reference | Note |
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| Complement ID | Locus ID | Gene | Species | Gene ID | Strain background | Direction | Details | Source | Reference |
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| Evidence ID | Analyze ID | Dataset | Description | Keywords | Number of Conditions | Reference |
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