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Quantitative structure-activity relationships for predicting percutaneous absorption rates

2003/08/01 by John D. Walker, Rosemary Rodford, Grace Patlewicz
Agricultural and Biological Sciences · Computer Science · Medicine · #Computational Drug Discovery Methods #Essential Oils and Antimicrobial Activity #Phytochemicals and Antioxidant Activities

paper · doi:10.1897/01-454

openalex publication_date 2003/08/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29

Abstract

Quantitative structure-activity relationships (QSARs) for predicting percutaneous absorption rates were reviewed. Overall progress has been hampered by the sparseness of good quality experimental data. A number of researchers have used the same data set to develop QSARs for predicting percutaneous absorption rates, a fact that makes it difficult, at this time, to recommend one or two QSARs for predicting percutaneous absorption rates. Identification of chemicals within domains of large chemical universes that should be tested to improve QSARs and the subsequent development of experimental percutaneous absorption rates for those chemicals will facilitate the development of more robust QSARs for predicting percutaneous absorption rates.

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