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The existing estimation approaches are either less accurate or require many parameters that are not readily available. Furthermore, current estimation methods are not easy to apply to complex environmental mixtures. We present two models to estimate the skin permeability coefficients of neutral organic chemicals. The first model, referred to here as the 2-parameter partitioning model (PPM), exploits a linear free energy relationship (LFER) of skin permeability coefficient with a linear combination of partition coefficients for octanol\u2013water and air\u2013water systems. The second model is based on the retention time information of nonpolar analytes on comprehensive two-dimensional gas chromatography (GC\u2009\u00d7\u2009GC). The PPM successfully explained variability in the skin permeability data (\n                    <jats:italic>n<\/jats:italic>\n                    \u2009=\u2009175) with\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    \u2009=\u20090.82 and root mean square error (\n                    <jats:italic>RMSE<\/jats:italic>\n                    )\u2009=\u20090.47\n                    <jats:italic>log<\/jats:italic>\n                    unit. In comparison, the US-EPA\u2019s model DERMWIN\u2122 exhibited an\n                    <jats:italic>RMSE<\/jats:italic>\n                    of 0.78\n                    <jats:italic>log<\/jats:italic>\n                    unit. The Zhang model\u2014a 5-parameter LFER equation based on experimental Abraham solute descriptors (ASDs)\u2014performed slightly better with an\n                    <jats:italic>RMSE<\/jats:italic>\n                    value of 0.44\n                    <jats:italic>log<\/jats:italic>\n                    unit. However, the Zhang model is limited by the scarcity of experimental ASDs. The GC\u2009\u00d7\u2009GC model successfully explained the variance in skin permeability data of nonpolar chemicals (\n                    <jats:italic>n<\/jats:italic>\n                    \u2009=\u200979) with\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    \u2009=\u20090.90 and\n                    <jats:italic>RMSE<\/jats:italic>\n                    \u2009=\u20090.23\n                    <jats:italic>log<\/jats:italic>\n                    unit. The PPM can easily be implemented in US-EPA\u2019s Estimation Program Interface Suite (EPI Suite\u2122). The GC\u2009\u00d7\u2009GC model can be applied to the complex mixtures of nonpolar chemicals.\n                  <\/jats:p>","DOI":"10.1186\/s13321-021-00503-5","type":"journal-article","created":{"date-parts":[[2021,3,19]],"date-time":"2021-03-19T16:10:50Z","timestamp":1616170250000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Development and evaluation of two-parameter linear free energy models for the prediction of human skin permeability coefficient of neutral organic chemicals"],"prefix":"10.1186","volume":"13","author":[{"given":"Sana","family":"Naseem","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yasuyuki","family":"Zushi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0188-0404","authenticated-orcid":false,"given":"Deedar","family":"Nabi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,3,19]]},"reference":[{"issue":"SUPPL. 9","key":"503_CR1","first-page":"103","volume":"103","author":"RP Moody","year":"1995","unstructured":"Moody RP, Chu I (1995) Dermal exposure to environmental contaminants in the great lakes. 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