Données de réplication pour : Current insights on skin permeability data and QSPR modelling

DOI

This repository contains curated data concerning skin permeability. Skin permeability is a critical factor in pharmaceuticals, cosmetics, and occupational safety. Experimental determination of skin permeability coefficients (Kp) is time-intensive and resource-demanding, highlighting the importance of computational predictions. These data have been used for quantitative structure-property relationship (QSPR) model development. Data are critically extracted from a recently published SkinPiX dataset and the HuskinDB skin permeability database, comprising 207 curated compounds with associated Kp values and metadata. The dataset includes 3 new experimental data points measured a posteriori.

Identifier
DOI https://doi.org/10.57745/ZUU1DH
Metadata Access https://entrepot.recherche.data.gouv.fr/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.57745/ZUU1DH
Provenance
Creator ASGARKHANOVA, Farah ORCID logo; BAYBEKOV, Shamkhal ORCID logo; MARCOU, Gilles ORCID logo; CHAMPMARTIN Catherine ORCID logo; CHEDIK Lisa ORCID logo; COSNIER Frédéric (ORCID: 0000-0002-8596-927X); VOLKOV Mikhail ORCID logo; PLYER Louis ORCID logo; HORVATH, Dragos ORCID logo; VARNEK, Alexandre (ORCID: 0000-0003-1886-925X)
Publisher Recherche Data Gouv
Contributor Marcou, Gilles; HORVATH, Dragos; Université de Strasbourg; Centre national de la recherche scientifique; Institut national de recherche et de sécurité pour la prévention des accidents du travail et des maladies professionnelles; Entrepôt-Catalogue Recherche Data Gouv
Publication Year 2025
Rights etalab 2.0; info:eu-repo/semantics/openAccess; https://spdx.org/licenses/etalab-2.0.html
OpenAccess true
Contact Marcou, Gilles (Laboratory of chemoinformatics,UMR 7140; CNRS, University of Strasbourg; France); HORVATH, Dragos (Laboratory of Chemoinformatics, UMR 7140 ; University of Strasbourg, CNRS ; France)
Representation
Resource Type Dataset
Format text/tab-separated-values; text/markdown
Size 11982; 252; 3302; 12762
Version 1.0
Discipline Chemistry; Natural Sciences