Journal of chemical information and modeling
May 6, 2025
We explore a suite of generative modeling techniques to efficiently navigate and explore the complex landscapes of odor and the broader chemical space. Unlike traditional approaches, we not only generate molecules but also predict the odor likeliness...
This study addresses the need for accurate structural data regarding the toxicity of fragrances in sanitizers and disinfectants. We compare the predictive and descriptive (model stability) potential of multiple linear regression (MLR) and partial lea...
Fragrances are the most common chemicals in cosmetics to which people expose every day. However, the unwanted allergic reactions such as contact dermatitis caused by direct contact with fragrances may happen. In Directive 2003/15/EC of the EU, cosmet...
Se pu = Chinese journal of chromatography
Dec 8, 2017
A novel method for rapid screening of phthalates (PAEs) in perfumes was developed. The PAEs were hydrolyzed to phthalic acid (PA), and the PA in the acidified solution was extracted with tributyl phosphate (TBP) which was detected by high performance...
BACKGROUND: Galaxolide (HHCB) is used for fragrance in many consumer products. The aim of the current study was to use objective assessments of HHCB to build a predictive model in order to estimate indoor-measured HHCB concentrations from questionnai...
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