347
11 Computational Toxicology in Drug Discovery: Opportunities and Limitations
Activity name
N
AUC, %
Abortion inducer
38
94.9
Agranulocytosis
408
84.1
Allergic reaction
789
81.9
Anaphylaxis
392
83.0
Anemia
228
84.8
Arrhythmogenic
481
81.2
Carcinogenic
1813
93.3
Carcinogenic, group 1
23
86.9
Carcinogenic, group 2A
36
95.5
Carcinogenic, group 2B
194
96.0
Carcinogenic, group 3
387
94.8
Carcinogenic, mouse
456
92.1
Carcinogenic, rat
603
93.1
Cardiodepressant
160
91.5
Cardiotoxic
982
82.4
Cataract
115
82.0
Coma
311
82.6
Convulsant
890
85.3
Cytotoxic
721
93.1
DNA damaging
466
96.3
Dependence
70
84.1
Depression
125
81.7
Embryotoxic
1743
90.7
Emetic
788
82.0
Endocrine disruptor
223
85.2
Eye irritation, high
528
93.7
Eye irritation, moderate
229
96.7
Eye irritation, weak
348
96.8
Genotoxic
146
94.9
Hematotoxic
1142
82.7
Hepatotoxic
1033
83.7
Hypercalcaemic
19
84.7
Hypercholesterolemic
10
85.1
Hyperglycemic
71
80.1
Hypertensive
736
81.5
Hypertensive, ophthalmic
10
95.8
Hypocalcaemic
29
85.4
Hypoglycemic
413
91.9
Hypothermic
295
84.4
Immunotoxin
43
79.1
Leukopenia
542
82.0
Mutagenic
3542
97.1
Nephrotoxic
787
84.0
Neurotoxic
638
85.8
Ocular toxicity
639
82.1
Ototoxicity
43
87.4
Pneumotoxic
17
95.5
QT interval prolongation
117
86.2
Table 11.11  Main adverse and toxic effects predicted by PASS 2012