Ontology highlight
ABSTRACT:
SUBMITTER: Alves VM
PROVIDER: S-EPMC5473635 | biostudies-literature | 2016 Dec
REPOSITORIES: biostudies-literature
Alves Vinicius M VM Capuzzi Stephen J SJ Muratov Eugene E Braga Rodolpho C RC Thornton Thomas T Fourches Denis D Strickland Judy J Kleinstreuer Nicole N Andrade Carolina H CH Tropsha Alexander A
Green chemistry : an international journal and green chemistry resource : GC 20161006 24
Skin sensitization is a major environmental and occupational health hazard. Although many chemicals have been evaluated in humans, there have been no efforts to model these data to date. We have compiled, curated, analyzed, and compared the available human and LLNA data. Using these data, we have developed reliable computational models and applied them for virtual screening of chemical libraries to identify putative skin sensitizers. The overall concordance between murine LLNA and human skin sen ...[more]