Skip to main content
. 2019 Mar 14;14(3):e0213848. doi: 10.1371/journal.pone.0213848

Table 5. Number of substances covered, (% of screened REACH substances), number of predicted actives (% of covered) and number of predicted inactives (% of covered) from predicting the REACH set of 80,086 substances.

Coverage (%) POS_IN (%) NEG_IN (%)
QSAR2:1 33,013 (41.2) 2,842 (8.6) 30,171 (91.4)
QSAR3:1 43,328 (54.1) 1,659 (3.8) 41,669 (96.2)
QSAR4:1 50,136 (62.6) 1,477 (2.9) 48,659 (97.1)
QSAR4:1- R 43,994 (54.9) 2,952 (6.7) 41,042 (93.3)
Rational-final 50,561 (63.1) 1,256 (2.5) 49,305 (97.5)
Random-final 45,557 (56.9) 3,214 (7.1) 42,343 (92.9)