Quantum-Mechanics Calculations Elucidate Skin-Sensitizing Pharmaceutical Compounds.
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DOI: 10.1021/acs.chemrestox.4c00185
Abstract: Skin sensitization is a critical end point in occupational toxicology that necessitates the use of fast, accurate, and affordable models to aid in establishing handling guidance for worker protection. While many in silico models have… read more here.
Keywords: apis intermediates; quantum mechanics; sensitization; mechanics ... See more keywords