Tsakovska Ivanka, Pajeva Ilza, Al Sharif Merilin, Alov Petko, Fioravanzo Elena, Kovarich Simona, Worth Andrew P, Richarz Andrea-Nicole, Yang Chihae, Mostrag-Szlichtyng Aleksandra, Cronin Mark T D
Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Acad G. Bonchev Str., bl. 21, Sofia 1113, Bulgaria.
S-IN Soluzioni Informatiche SRL, Via Ferrari 14, Vicenza 36100, Italy.
Toxicology. 2017 Jul 15;387:27-42. doi: 10.1016/j.tox.2017.06.008. Epub 2017 Jun 21.
This paper reviews in silico models currently available for the prediction of skin permeability. A comprehensive discussion on the developed methods is presented, focusing on quantitative structure-permeability relationships. In addition, the mechanistic models and comparative studies that analyse different models are discussed. Limitations and strengths of the different approaches are highlighted together with the emergent issues and perspectives.
本文综述了目前可用于预测皮肤渗透性的计算机模拟模型。对已开发的方法进行了全面讨论，重点是定量结构-渗透性关系。此外，还讨论了分析不同模型的机理模型和比较研究。强调了不同方法的局限性和优势以及新出现的问题和观点。
