From Structural Alerts to Signature Fragment Alerts: A Case Study on Pyrrolizidine Alkaloids.
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DOI: 10.1021/acs.chemrestox.2c00292
Abstract: Even though modeling is considered a valid alternative to mutagenicity testing for substances with known structures, it can be applied for mixtures only if all of the single chemical structures are identified. Within the present… read more here.
Keywords: fragment alerts; structural alerts; signature fragment; toxicology ... See more keywords