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ANNEX 15
fi~[~rjJ~Jfl~ COMPARISON OF TESTRESULTS AND PREDICTIONS
Chum. JNo.
—
4
MPD resultInvitro
MPD result SAXinvivo j
Agreement?-__I__________
.7nd- nd 0
6 Sal -ye mnuc -ye 0 Yes
16 Sal-vs -nd 0 NoSARlowMCUM+ve
17 Sal +ve nd 0 NoSARIowMCGM -vs
21 Sal-vs mnuc -vs 0 Yes
23. Sal-vs - ronuc-ve 0 Yes
24 Sal-vn mnuc-ve 0 Yes
26 Sal-vs • mnuc-vs 0 • Yes
37 Sal -ye mnuc -ye L-M No EC low
44 Sal-vs mnuc-ve 0 Yes-
47 Sal-vs mnuc-ve 0 Yes
49 Sal-vs nd 0 YesMCGM -vs -
50 Sal-vs nd 0 Yes• NC-vs
A15-1
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 188 of 341
a-
CiNo.
MPD resultvitro
MPD resultin vivo
SAR Agreement?I___________
0 YesSal-vs mnuc-vs
54 Sal weak +vsMCGM -vs
SCE -vsNA -vs
equivocal Yes
61 Sal-vs. nd 0 YesNC -vs
68 Sal-vs nd 0 YesNC -vs
69 Sal-vsE Coli -vs
mnuc-vs 0 Ye~
70 Sal-vs ronuc-ve 0 Yes
76 5a1 -vs mnuc -vs 0 YesUDS -vs
78 Sal -vs mnuc -vs 0 Yes
79 Sal -vs mnuc -vs 0 YesE Coli -vs
87 - Sal-vs nd 0 YesNC -vs
96 - Sal -vs mnuc -vs L-M No EC lowEColi-ve
99 Sal-vs mnuc-vs 0 YesIVC -vs
101 Sal -vs mnuc -vs L-M No EC low
C
--a-
A I ~,‘)
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 189 of 341
a
MPD resultin vitro
SAX Agreement?Chum.No.j
MPD resultin vivo ~• I___________
mnuc-ve L-M NoEClowVa
102 Sal-vs..
106 Sal -vsE Coli -vs
mnuc -vs 0 Yes
107 nd nd 0 7
108 Sal-vs mouc -vs 0 Yes
110 Sal-vsMCGM -vsNC -vs
mnuc-vs 0 Yes
11.3 Sal -vs mnuc-vs 0 Yes
118 Sal-vs NA-vsmnuc -vs
0 Yes
124 Sal-vs mnuc-vs 0 Yes
128 Sal-vs CA-vs 0 Yes
133 Sal-vs mnuc-vs 0 Yes
144-MCGM
-•
Sal-vs-vs
, IVC -vs
nd 0 Yes
148 Sal-vs mnuc-vs 0 -. Yes
151 Sal-vsMCGM -vs
C NC-vs
nd 0 - - Yes
*
A15-3
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 190 of 341
a
SAXChum.No.
MPD resultIn vitro
MPD resultinvivo J___________
mnuc-ve 0 •
Agreement? -
155 • Sal-v. Yes
156 Sal -vs tunuc -vs 0 Yes
164 Sal -vsSCE -vs
mnuc -vs 0 Yes
170 Sal +vs• mnuc -vs 0 No SAllow
173 Sal -vs mnuc-vs 0 Yps
176 - Sal -vs mnuc-ve 0 Yes
182 Sal-vsMCGM -vs
mnuc-ve 0 Yes
186 Sal-vs mnuc-vs 0 Yes
192 Sal -vsE Coli -vs
mnuc -vs 0 Yes
194 nd nd 0 Yes
196 Sal -vsIVC weak +vs
mauc -vs L-M Yes
197 Salwsak+veE Coli -vsP/C -vs
ud L-M Yes
200 Sal-vsNC-vs
• C
ud 0 Yes
*
a •e a
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 191 of 341
*
No.MPD result
InvitroMPD result
InvivoSAX
aAgreement?
204 Sal-v. mnuc-vs 0 Yes
214 - Sal-vs esnuc-ve 0 Yes
216 Sal weak +veMCGM -vs
P/C -vs
NA -vsmauc -vs
0 No SAX low
217 Sal-vs mnuc-vs 0 Yes
218 Sal~vsE Coli -vsP/C -vs
ud 0 Yes
219 Sal +veMCGM -vs
mnuc -vs L-M Yes
222 Sal -ye mnuc -vs L-M No EC low
- 224 Sal -vs mnuc -vs L-M No EC low
235 Sal-vs. ~uc-vs 0 Yes
237 Sal-vsP/C -vs
nd 0 Yes
239 . Sal-vs
IVC -vs
nd 0 Yes
240 Sal -vs mnuc -vs 0 Yes
241•
Sal-vsIVC -vs
C
nd 0 • Yes
a
A15-5
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 192 of 341
a
—.Chum.
No.MPD resultinvitro MPD resultinvivo SAX Agreement?I___________
0 Yes242 • Sal-vs
P/C -vs
nd
253 Sal-vs mnuc-ve 0 Yes
256 Sal -vs innuc -vs 0 Yes
263 Sal +vs mnuc -vs L-M YesP/C -vs
265 Sal-vsP/C -vs
nd 0 Yes
267 • ud nd 0 Yes
268 Sal -vs mnuc -vs 0 Yes
269 Sal weak +veMCGM -vs
mnuc -vs L-M Yes
P/C -vs
270 - Sal--vs mnuc-vs 0 Yes
271 Sal -vs• IVC -vs
nd 0 Yes
275 Sal +ve mnuc -vs L-M YesIVC -vs
278 - Sal-vs
SCE weak +vs?
mnuc-vs 0 Yes
281 Sal-vs mnuc -vs L YesC
a
A15-6
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 193 of 341
C
Chum. j
No.j
MPD result
invitro
MPD result
invivo
SAX Agreement?
2831429
Sal -vs mnuc-vs 0 Y
286 Sal -vs mnuc -vs 0 Yes
287 Sal -vs mnuc -vs 0 Yes
289 Sal +vsP/C -vs
mnuc -vs L-M Yes
291 Sal -vs mnuc -vs L Yes
292-
Sal-vsP/C-vs
nd 0 Yes
300 Sal-vs mnuc-vs 0 Yes
307 Sal +vsE~oli -vs
mnuc -vs L-M Yes
309 Sal -vs mnuc -vs 0 Yes
312•
Sal +veMCGM -vs
mnuc-vs L-M Yes-
•318 Sal-vs mnuc -vs 0 Yes:
320 Sal -vs mnuc -vs 0 Yes
• 321 Sal-vs mnuc-vs M NoEClowC
A15-7
6
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 194 of 341
C
Chin.
No.
MPD resultin vitro
MPD resultIn vivo
SAX ~ Agreement?- I___________
L-M • No330 Sal -vs mnuc -vs
335 Sal +veMCGM -vs
mnuc -vs L-M Yes
336 Sal-vs mnuc-vs 0 Yes
337 Sal -vs •MCGM -vs
nd L-M No EC low
P/C -vs
340 Sal-yeP/C +vs
mnuc-ve 0 NoSAXIow
341 Sal-vs mnuc-vs 0 Yes
342 - Sal-vs mnuc-vs 0 YesP/C -vs
344 Sal-vs ronuc-ve • 0 Yes
348 Sal-vs mnuc-vs 0 Yes
349 Sal-vs mnuc-vs 0 Yes
354• Sal -vs- P/C-vs
mnuc-vs 0 Yes
SCE -vs
355 Sal-vs mnuc-vs 0 Yes
360 Sal-vsP/C-vs -
nd 0 Yes
C
-a -
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 195 of 341
a
Agreement?Chum. MPD result MPD resultin vivo
SAXi________
0 Yes
a
ud
362 Sal weak +vs mnuc -vs L-M Yes
364 Sal-vsP/C +vs
mnuc-vs 0 NoSARIow
366 Sal-vs- E Coli -vs
mnuc-vs 0 Yes
P/C -vsnd 0 Yes
P/C +vs (art)mnuc -vs 0 Yes
370 Sal-vs mnuc-vs 0 Yes
mnuc -vs 0 Yes
376 Sal-vsIVC -vs
nd 0 Yes
379 Sal -vsIVC -vs
nd L-M No EC low
381 Sal-vs mnuc -vs 0 Yes
383 Sal-vs mnuc-vs 0 Yes
386•
Sal-vsEColi -vsP/C-vs
mnuc-vs 0 Yes
AIS-9
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 196 of 341
S
CChum. MPD resultNo.1 In vitro
MPD resultinvivo
SAX j Agreement?SI___________
0 Yes393 Sal-vs CA-vs
394 Sal-vs ad 0 YesP/C -vs
396 Sal-vs mnuc-vs 0 Yes
398 Sal-vs mnuc-vs 0 Yes
401 Sal-vs nd 0 YesP/C v.wsak +ve
406 • Sal-vs ad L-M NoEClowP/C -vs
411 Sal-vs mauc-ve 0 YesPrival -vs
413 Sal-vs mnuc-vs 0 Yes
414 Sal-vs mauc-ve 0 Yes
415 Sal-vs innuc-ve -0 Yes
416 • Sal -vs mnuc-ve 0 . Yes
417 Sal-vs umuc-vs 0 Yes
420 Sal-vs nd 0 • YesEColi-ve4VC -vs
a
—~ — - A1~1fl
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 197 of 341
Chum. MPD result MPD result
2. I ~ [ m:’~
SAX
Agreement?Yes
425 -Sal-vsP/C-vs
ad 0 Yes
431-
Sal-vsP/C-vs
ad 0 Yes
436 Sal-vs . CA-vs 0 Yes
437 Sal -vsP/C -vs
mnuc -vs 0 Yes
439 Sal-vsP/C -vs
ad 0 Yes
441 Sal -vsE Coli -vsP/C -vs
nd L-M No EC low
442 Sal -vsP/C +ve
nd L-M Yes
443 Sal-vs . mnuc-vs 0 • Yes
444 Sal -vs mnuc -vs L-M No EC low
445 ud nd 0 Yes
446 Sal-vsEColi -vs
mauc-ve 0 • Yes
451 • Sal-vs
EColi -vs
IVC -vs
mnuc -vs 0 Yes
472 C~ Sal -vs ronuc -vs 0 Yes
AIS-11
I.
4
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 198 of 341
- *
Abbreviations: Sal = Salmonella (Ames) gene mutation testmnuc = micronucleus testMCGM = any mammalian cell gene mutation testP/C = in~iim chromosome aberration testSCE = sister chromatid exchange testUDS = unscheduled DNA synthesis testNA = nuclearanomaly testCA = chromosomeaberrationtestE coli = E coli gene mutation testart = artefactad = not dons -
o or L = SAX prediction of low concernL-M = SAR prediction of low to moderata concernM m SAX prediction of moderate concern+vs = positive.-vs = negative 9
a
U.S. EPA/EC Joint Project on the Evaluation of (Quantitative) Structure Activity Relationships, Final Report, July 1993, EPA 743- R-94-001
Page 199 of 341