PMID- 24444449 OWN - NLM STAT- MEDLINE DCOM- 20150629 LR - 20220311 IS - 1879-3177 (Electronic) IS - 0887-2333 (Linking) VI - 28 IP - 4 DP - 2014 Jun TI - Skin sensitization risk assessment model using artificial neural network analysis of data from multiple in vitro assays. PG - 626-39 LID - S0887-2333(14)00006-X [pii] LID - 10.1016/j.tiv.2014.01.003 [doi] AB - The sensitizing potential of chemicals is usually identified and characterized using in vivo methods such as the murine local lymph node assay (LLNA). Due to regulatory constraints and ethical concerns, alternatives to animal testing are needed to predict skin sensitization potential of chemicals. For this purpose, combined evaluation using multiple in vitro and in silico parameters that reflect different aspects of the sensitization process seems promising. We previously reported that LLNA thresholds could be well predicted by using an artificial neural network (ANN) model, designated iSENS ver.1 (integrating in vitro sensitization tests version 1), to analyze data obtained from two in vitro tests: the human Cell Line Activation Test (h-CLAT) and the SH test. Here, we present a more advanced ANN model, iSENS ver.2, which additionally utilizes the results of antioxidant response element (ARE) assay and the octanol-water partition coefficient (LogP, reflecting lipid solubility and skin absorption). We found a good correlation between predicted LLNA thresholds calculated by iSENS ver.2 and reported values. The predictive performance of iSENS ver.2 was superior to that of iSENS ver.1. We conclude that ANN analysis of data from multiple in vitro assays is a useful approach for risk assessment of chemicals for skin sensitization. CI - Copyright (c) 2014 Elsevier Ltd. All rights reserved. FAU - Tsujita-Inoue, Kyoko AU - Tsujita-Inoue K AD - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, Yokohama-shi, Kanagawa 224-8558, Japan. FAU - Hirota, Morihiko AU - Hirota M AD - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, Yokohama-shi, Kanagawa 224-8558, Japan. Electronic address: morihiko.hirota@to.shiseido.co.jp. FAU - Ashikaga, Takao AU - Ashikaga T AD - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, Yokohama-shi, Kanagawa 224-8558, Japan. FAU - Atobe, Tomomi AU - Atobe T AD - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, Yokohama-shi, Kanagawa 224-8558, Japan. FAU - Kouzuki, Hirokazu AU - Kouzuki H AD - Shiseido Research Center, Shiseido Co. Ltd., 2-2-1 Hayabuchi, Tsuzuki-ku, Yokohama-shi, Kanagawa 224-8558, Japan. FAU - Aiba, Setsuya AU - Aiba S AD - Department of Dermatology, Tohoku University Graduate School of Medicine, 1-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi 980-8574, Japan. LA - eng PT - Journal Article DEP - 20140118 PL - England TA - Toxicol In Vitro JT - Toxicology in vitro : an international journal published in association with BIBRA JID - 8712158 RN - 0 (Allergens) SB - IM MH - Allergens/*toxicity MH - Antioxidant Response Elements MH - Biological Assay MH - Dermatitis, Contact/*immunology MH - Humans MH - *Neural Networks, Computer MH - Risk Assessment OTO - NOTNLM OT - Antioxidant response element, ARE OT - Artificial neural network OT - Risk assessment OT - SH test OT - Skin sensitization OT - h-CLAT EDAT- 2014/01/22 06:00 MHDA- 2015/06/30 06:00 CRDT- 2014/01/22 06:00 PHST- 2013/09/15 00:00 [received] PHST- 2013/12/21 00:00 [revised] PHST- 2014/01/08 00:00 [accepted] PHST- 2014/01/22 06:00 [entrez] PHST- 2014/01/22 06:00 [pubmed] PHST- 2015/06/30 06:00 [medline] AID - S0887-2333(14)00006-X [pii] AID - 10.1016/j.tiv.2014.01.003 [doi] PST - ppublish SO - Toxicol In Vitro. 2014 Jun;28(4):626-39. doi: 10.1016/j.tiv.2014.01.003. Epub 2014 Jan 18.