id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
3665915
|
In the OT_ER_ERaERb_0480 OregonTox receptor–co-activator assay, does the molecule CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3076660
|
In the BSK_SAg_IL8_up BioSeek primary-cell biomarker panel, does the molecule Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O.Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3459029
|
Is C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O, given as a SMILES string, classified as toxic in the ATG_Xbp1_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4371657
|
Given a compound's SMILES string, does Cc1cc(C)nc(Nc2ccccc2)n1 produce a positive toxicity call in the ATG_RORg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
387636
|
In the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1296079
|
Is O=C(OCCCCCCOC(=O)c1ccccc1)c1ccccc1, given as a SMILES string, classified as toxic in the ATG_FoxO_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3431445
|
Does the compound NCc1ccccc1 result in a positive toxicity outcome in the TOX21_PPARg_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
85603
|
Is C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O, given as a SMILES string, classified as toxic in the APR_HepG2_CellCycleArrest_72h_dn APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5188402
|
Given a candidate compound's SMILES string, is the compound CC(C)C(=O)C(C)C toxic in the ATG_GLI_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5031528
|
Does the compound Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C result in a positive toxicity outcome in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4839206
|
In the ATG_RXRa_TRANS_dn Attagene reporter-gene assay, does the molecule C=CC(=O)OCCCCOC(=O)C=C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5029076
|
Given a candidate compound's SMILES string, is the compound Cc1ccc(C)c(S(=O)(=O)O)c1 toxic in the TOX21_p53_BLA_p5_ch1 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1044801
|
Does the compound CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1 result in a positive toxicity outcome in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1388810
|
Given a compound's SMILES string, does COS(=O)(=O)C(F)(F)F produce a positive toxicity call in the TOX21_NFkB_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1675828
|
Given a compound's SMILES string, does COc1ccc2nc(N)sc2c1 produce a positive toxicity call in the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2105279
|
Given a compound's SMILES string, does CCCOCCO produce a positive toxicity call in the ATG_RARb_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
787753
|
Does the compound CC(=O)Nc1ccc(N)cc1 result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
709174
|
Given a compound's SMILES string, does Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl produce a positive toxicity call in the BSK_LPS_Eselectin_down BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
63641
|
Does the compound CNC.O=C(O)COc1ccc(Cl)cc1Cl result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
591942
|
In the ATG_C_EBP_CIS_dn Attagene reporter-gene assay, does the molecule FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2840576
|
Does the compound N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O result in a positive toxicity outcome in the ATG_M_32_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3937970
|
Is O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Zn+2], given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4044776
|
Is O=[N+]([O-])c1ccc([O-])cc1.[Na+], given as a SMILES string, classified as toxic in the BSK_CASM3C_LDLR_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4126417
|
Does the compound O.O.O.O.O=S(=O)([O-])[O-].[Be+2] result in a positive toxicity outcome in the TOX21_VDR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
562025
|
Given a compound's SMILES string, does O=P(O)(O)CCCl produce a positive toxicity call in the ATG_GATA_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4278528
|
Does the compound O=C(O)c1cc(O)c2c(c1)O[Bi](O)O2 result in a positive toxicity outcome in the TOX21_PPARg_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2530461
|
Is CN1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1, given as a SMILES string, classified as toxic in the ATG_CRE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3293049
|
Does the compound C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C result in a positive toxicity outcome in the ATG_FoxA2_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
675815
|
Given a compound's SMILES string, does CCC(C)CCCC(C)(C)O produce a positive toxicity call in the ATG_RORg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1046934
|
In the BSK_BE3C_uPAR_down BioSeek primary-cell biomarker panel, does the molecule CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4490828
|
Given a compound's SMILES string, does CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O produce a positive toxicity call in the TOX21_VDR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4210105
|
Does the compound C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 result in a positive toxicity outcome in the TOX21_ERa_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
318391
|
Given a candidate compound's SMILES string, is the compound CC(=O)OCCOCCOCCOC(C)=O toxic in the TOX21_p53_BLA_p5_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
545136
|
In the TOX21_p53_BLA_p3_viability NIH/EPA Tox21 reporter-gene assay, does the molecule Cc1cc(C)c(N)cc1C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3518144
|
In the TOX21_VDR_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5065693
|
In the ATG_BRE_CIS_dn Attagene reporter-gene assay, does the molecule CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1570884
|
Is CCCCCCCCCCCC(=O)N(CCO)CCO, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3146666
|
Given a candidate compound's SMILES string, is the compound CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O toxic in the ATG_TA_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5371511
|
Given a compound's SMILES string, does Cc1cc(Cl)ccc1OCCCC(=O)O produce a positive toxicity call in the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3767008
|
In the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay, does the molecule O=C([O-])c1ccccc1O.[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1049571
|
Is O=CC=O, given as a SMILES string, classified as toxic in the ATG_RARa_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1572233
|
In the BSK_hDFCGF_IP10_down BioSeek primary-cell biomarker panel, does the molecule CCOCCOCCOCCO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3415094
|
Is CC/C=C\CCOC(=O)C(C)C, given as a SMILES string, classified as toxic in the ATG_Oct_MLP_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1322387
|
Given a candidate compound's SMILES string, is the compound CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1 toxic in the ATG_PXR_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4460455
|
Is COc1ccc(C(C)=O)cc1, given as a SMILES string, classified as toxic in the ATG_Myb_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3992769
|
Given a compound's SMILES string, does CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1 produce a positive toxicity call in the TOX21_PPARd_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
39395
|
Given a candidate compound's SMILES string, is the compound Brc1ccc(Br)cc1 toxic in the ATG_RXRb_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4936337
|
Given a candidate compound's SMILES string, is the compound CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O toxic in the TOX21_p53_BLA_p5_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2649187
|
In the ATG_BRE_CIS_dn Attagene reporter-gene assay, does the molecule O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
168334
|
Is Cl.Cl.OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1661503
|
Given a compound's SMILES string, does CC(C)(COC(=O)c1ccccc1)COC(=O)c1ccccc1 produce a positive toxicity call in the BSK_KF3CT_MCP1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5295704
|
Is CC(=O)CC(=O)Nc1ccccc1C, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p4_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1858934
|
In the TOX21_p53_BLA_p4_viability NIH/EPA Tox21 reporter-gene assay, does the molecule Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1 show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
760624
|
Given a compound's SMILES string, does CC(=O)C1C(=O)C=C(C)OC1=O produce a positive toxicity call in the ATG_THRa1_TRANS_dn Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2366367
|
In the ATG_M_32_TRANS_up Attagene reporter-gene assay, does the molecule CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3807674
|
Is CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC, given as a SMILES string, classified as toxic in the BSK_BE3C_HLADR_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5488075
|
Given a candidate compound's SMILES string, is the compound CC(=O)CC(C)=O toxic in the TOX21_p53_BLA_p4_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
666434
|
Given a compound's SMILES string, does CCCCOC(=O)CCCCCCCCC(=O)OCCCC produce a positive toxicity call in the ATG_HNF6_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4765924
|
Given a compound's SMILES string, does CC(N)C12CC3CC(CC(C3)C1)C2.Cl produce a positive toxicity call in the TOX21_ARE_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4643926
|
Is BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br, given as a SMILES string, classified as toxic in the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5469410
|
In the TOX21_TR_LUC_GH3_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule CCOC(=O)OCC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3982771
|
Given a candidate compound's SMILES string, is the compound O=C(O)CCCCCCCCCCC(=O)O toxic in the ATG_VDRE_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
67411
|
Is C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C, given as a SMILES string, classified as toxic in the ATG_PPRE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
123727
|
In the TOX21_HSE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule C=CCOCC(CC)(CO)COCC=C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4779899
|
Given a candidate compound's SMILES string, is the compound CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+] toxic in the BSK_LPS_Eselectin_down assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4247430
|
In the TOX21_GR_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4601800
|
Given a compound's SMILES string, does N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F produce a positive toxicity call in the Tanguay_ZF_120hpf_OTIC_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4976804
|
Does the compound Cc1ccc(S(=O)(=O)O)cc1 result in a positive toxicity outcome in the TOX21_FXR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
710020
|
Is Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p4_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3189957
|
In the ATG_PXRE_CIS_up Attagene reporter-gene assay, does the molecule COC(=O)c1ccccc1OC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
427041
|
Is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1, given as a SMILES string, classified as toxic in the NVS_NR_bER Novascreen nuclear-receptor binding assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4274936
|
Given a candidate compound's SMILES string, is the compound COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl toxic in the APR_Hepat_Steatosis_48hr_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4053677
|
In the ATG_Sox_CIS_dn Attagene reporter-gene assay, does the molecule Brc1cc(Br)cc(Br)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
206215
|
Given a candidate compound's SMILES string, is the compound CCCCNC(=O)OCC#CI toxic in the TOX21_VDR_BLA_antagonist_ratio assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1752674
|
In the ATG_STAT3_CIS_up Attagene reporter-gene assay, does the molecule O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3487497
|
Given a compound's SMILES string, does CCCCCO produce a positive toxicity call in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4793077
|
In the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2412141
|
In the APR_HepG2_MitoticArrest_24h_up APR high-content imaging assay (HepG2 cells), does the molecule CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3077216
|
Given a candidate compound's SMILES string, is the compound Cn1c(=O)c2[nH]cnc2n(C)c1=O toxic in the TOX21_AutoFluor_HEPG2_Media_blue assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3214521
|
Given a compound's SMILES string, does N#Cc1ccc(C(=O)O)cc1 produce a positive toxicity call in the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3970051
|
Does the compound CN(C)C(=S)[S-].[Na+] result in a positive toxicity outcome in the TOX21_HSE_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5165503
|
Given a compound's SMILES string, does CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O produce a positive toxicity call in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1816348
|
Does the compound CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C result in a positive toxicity outcome in the BSK_SAg_SRB_down BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
186665
|
Given a candidate compound's SMILES string, is the compound CC(=O)OCC(C)OC(C)=O toxic in the ATG_PBREM_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2046258
|
Given a candidate compound's SMILES string, is the compound FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F toxic in the ATG_CMV_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4666936
|
Given a candidate compound's SMILES string, is the compound CCCCOCCOCCO toxic in the BSK_CASM3C_uPAR_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
502458
|
Given a candidate compound's SMILES string, is the compound CCC(C)OC(C)CC toxic in the TOX21_MMP_ratio_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
571459
|
Does the compound CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1 result in a positive toxicity outcome in the ATG_RARg_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
730823
|
Is CN(C)C1CSSSC1.O=C(O)C(=O)O, given as a SMILES string, classified as toxic in the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4532590
|
Given a candidate compound's SMILES string, is the compound II toxic in the TOX21_FXR_BLA_Antagonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4901890
|
Is CN1C(=O)OC(C)(C)C1=O, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1507077
|
Is CCCCCCCCCCCCSC, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2571745
|
Given a compound's SMILES string, does O=[N+]([O-])c1ccc([N+](=O)[O-])cc1 produce a positive toxicity call in the BSK_KF3CT_MCP1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1734480
|
In the BSK_3C_Proliferation_down BioSeek primary-cell biomarker panel, does the molecule CCCCOC(=O)c1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3713263
|
Given a compound's SMILES string, does CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC produce a positive toxicity call in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3488678
|
In the ATG_PXR_TRANS_dn Attagene reporter-gene assay, does the molecule CCNc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3360018
|
In the ATG_ISRE_CIS_up Attagene reporter-gene assay, does the molecule CN1CCC[C@H]1c1cccnc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4626284
|
Does the compound C1CN2CCN1CC2 result in a positive toxicity outcome in the ATG_E_Box_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
489970
|
In the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2936587
|
Is FC(F)(F)c1ccc(Cl)cc1, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p2_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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