A quantitative in silico model for predicting skin sensitization using a nearest neighbours approach within expert-derived structure-activity alert spaces.
Canipa SJ, Chilton ML, Hemingway R, Macmillan DS, Myden A, Plante JP, Tennant RE, Vessey JD, Steger-Hartmann T, Gould J, Hillegass J, Etter S, Smith BPC, White A, Sterchele P, De Smedt A, O'Brien D, Parakhia R.
Canipa SJ, et al. Among authors: plante jp.
J Appl Toxicol. 2017 Aug;37(8):985-995. doi: 10.1002/jat.3448. Epub 2017 Feb 28.
J Appl Toxicol. 2017.
PMID: 28244128