id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
1736868
|
Given a candidate compound's SMILES string, is the compound CC(=O)Nc1cc([As](=O)(O)O)ccc1O toxic in the TOX21_GR_BLA_Antagonist_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
832346
|
Given a candidate compound's SMILES string, is the compound Cl.Clc1cccc(Cl)c1N=C1NCCN1 toxic in the TOX21_AR_BLA_Agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3767596
|
Is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12, given as a SMILES string, classified as toxic in the BSK_CASM3C_uPAR_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3771451
|
In the BSK_KF3CT_TIMP2_down BioSeek primary-cell biomarker panel, does the molecule CC(Oc1cccc(Cl)c1)C(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1043253
|
In the ATG_PXRE_CIS_up Attagene reporter-gene assay, does the molecule O=C(OCCOCCOCCOC(=O)c1ccccc1)c1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3764357
|
Given a compound's SMILES string, does C/C=C/C=C/CCCCCCCO produce a positive toxicity call in the TOX21_ERa_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
250630
|
Given a compound's SMILES string, does O=[N+]([O-])c1ccc(O)cc1C(F)(F)F produce a positive toxicity call in the ATG_GLI_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5083765
|
In the TOX21_AR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CCCCCCCCCCCCO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
57793
|
In the ATG_RORE_CIS_up Attagene reporter-gene assay, does the molecule CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2248458
|
Given a candidate compound's SMILES string, is the compound C=C(C)C(=O)OCCCCCC toxic in the TOX21_PPARg_BLA_Agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3001194
|
Is CCCCCCCC1CCCC1=O, given as a SMILES string, classified as toxic in the BSK_CASM3C_IL6_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
222283
|
Given a compound's SMILES string, does COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 produce a positive toxicity call in the TOX21_AutoFluor_HEPG2_Cell_blue NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1695194
|
Given a candidate compound's SMILES string, is the compound CC(C)(C)CC(C)(C)c1ccc(O)cc1 toxic in the ATG_PPRE_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1352366
|
Given a compound's SMILES string, does CCC(C)c1ccc(O)cc1 produce a positive toxicity call in the ATG_RXRa_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1880704
|
Given a candidate compound's SMILES string, is the compound CCC(C)Cl toxic in the TOX21_ARE_BLA_Agonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2455018
|
Given a candidate compound's SMILES string, is the compound Cc1cc(C)cc(C)c1 toxic in the BSK_LPS_PGE2_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
247981
|
Given a candidate compound's SMILES string, is the compound CC(=O)OC1C2(C)CCC(C2)C1(C)C toxic in the ATG_AP_1_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2614722
|
Is CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC, given as a SMILES string, classified as toxic in the BSK_SAg_Eselectin_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4094851
|
Is CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1, given as a SMILES string, classified as toxic in the ATG_Myc_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1428818
|
Is O=C(O)CC(=O)O, given as a SMILES string, classified as toxic in the TOX21_AR_LUC_MDAKB2_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3764449
|
In the TOX21_GR_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule [N-]=[N+]=[N-].[Na+] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3502744
|
In the ATG_RARb_TRANS_dn Attagene reporter-gene assay, does the molecule CC(=O)CC(N)=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1508701
|
In the ATG_GRE_CIS_up Attagene reporter-gene assay, does the molecule O=C(O)c1cc(Cl)cc(Cl)c1O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5245552
|
Given a candidate compound's SMILES string, is the compound CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccccc1 toxic in the TOX21_ERa_BLA_Antagonist_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1220725
|
Is CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1, given as a SMILES string, classified as toxic in the NVS_TR_hNET Novascreen transporter binding assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1359773
|
Is O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1, 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
|
216236
|
Is C/C=C/C=C/C(=O)O, given as a SMILES string, classified as toxic in the APR_HepG2_MitoMass_72h_dn APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4832323
|
Given a candidate compound's SMILES string, is the compound CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O toxic in the TOX21_AR_LUC_MDAKB2_Antagonist2 assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5409524
|
Given a candidate compound's SMILES string, is the compound ClC(Br)Br toxic in the TOX21_AR_BLA_Antagonist_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1770941
|
Given a candidate compound's SMILES string, is the compound C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F toxic in the TOX21_GR_BLA_Agonist_ch1 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
377298
|
In the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1830784
|
Is CCCc1ccc(N)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
|
3757335
|
Given a candidate compound's SMILES string, is the compound C[N+](C)=CCl.[Cl-] toxic in the ATG_PXR_TRANS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3495667
|
Given a candidate compound's SMILES string, is the compound CN(CCO)CCO toxic in the TOX21_p53_BLA_p5_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2694010
|
Given a candidate compound's SMILES string, is the compound CCCCCCCc1ccc(O)cc1 toxic in the NVS_NR_hPPARg assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5218898
|
Given a candidate compound's SMILES string, is the compound C=Cc1cccc(C)c1 toxic in the ATG_CMV_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4367389
|
Does the compound OCCNCCO result in a positive toxicity outcome in the APR_HepG2_StressKinase_72h_up APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5151632
|
Does the compound Cl[Si](Cl)(c1ccccc1)c1ccccc1 result in a positive toxicity outcome in the TOX21_AutoFluor_HEPG2_Cell_blue NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4816209
|
In the ATG_Sp1_CIS_dn Attagene reporter-gene assay, does the molecule O=C1CCCCCCCCCCC(=O)OCCO1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3234089
|
Is CCCCCCCCCCCCBr, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
524732
|
Is CN(C)NC(=O)CCC(=O)O, given as a SMILES string, classified as toxic in the Tanguay_ZF_120hpf_BRAI_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4750747
|
In the TOX21_p53_BLA_p5_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1906804
|
Given a compound's SMILES string, does I.I.NCCN produce a positive toxicity call in the ATG_BRE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4393900
|
Is CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1, given as a SMILES string, classified as toxic in the ATG_XTT_Cytotoxicity_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4497580
|
In the TOX21_HSE_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O.CS(=O)(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4696286
|
Is Cc1ccc(C#N)cc1, given as a SMILES string, classified as toxic in the TOX21_VDR_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2578655
|
In the TOX21_VDR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2623672
|
Given a candidate compound's SMILES string, is the compound Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 toxic in the ATG_MRE_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2683784
|
Given a candidate compound's SMILES string, is the compound Nc1cc(Cl)c([N+](=O)[O-])cc1O toxic in the TOX21_AR_BLA_Agonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3397351
|
Does the compound CCCC[N+](C)(CCCC)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F result in a positive toxicity outcome in the TOX21_PPARd_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
291788
|
In the ATG_RORg_TRANS_up Attagene reporter-gene assay, does the molecule N#CCCCCC#N show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3736729
|
Given a compound's SMILES string, does CC(C)c1ccc(NC(=O)N(C)C)cc1 produce a positive toxicity call in the TOX21_PPARd_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2365720
|
Is CCCCSP(=O)(SCCCC)SCCCC, given as a SMILES string, classified as toxic in the ATG_VDRE_CIS_up Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3842567
|
Is CC(C)(C)c1cc(O)ccc1O, given as a SMILES string, classified as toxic in the ATG_THRa1_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4530902
|
In the BSK_LPS_IL8_down BioSeek primary-cell biomarker panel, does the molecule O=C(O)CN(CC(=O)O)CC(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3280525
|
Is CCCCCCCCCCCC(=O)OCC, given as a SMILES string, classified as toxic in the ATG_XTT_Cytotoxicity_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5390494
|
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_hDFCGF_MMP1_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3755333
|
Does the compound CCOC(=O)Cc1cccc2ccccc12 result in a positive toxicity outcome in the CEETOX_H295R_11DCORT_dn H295R steroidogenesis assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1664868
|
Given a compound's SMILES string, does O=C(O)CC(Cl)C(=O)O produce a positive toxicity call in the TOX21_ERa_BLA_Antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5526234
|
Does the compound O=C(Cl)OCCOCCOC(=O)Cl result in a positive toxicity outcome in the ATG_RXRb_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1065958
|
Does the compound CCOP(=S)(OCC)SCCSCC result in a positive toxicity outcome in the ATG_RORE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5309826
|
Does the compound Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] result in a positive toxicity outcome in the ATG_AP_2_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3602522
|
In the TOX21_p53_BLA_p1_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4999756
|
In the TOX21_NFkB_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule C/C=C(\C)C(=O)OCCc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
520832
|
In the TOX21_ESRE_BLA_viability NIH/EPA Tox21 reporter-gene assay, does the molecule COC(=O)c1c(C)cc(O)c(C)c1O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1550923
|
Given a compound's SMILES string, does C=C1CC[C@H]2C[C@@H]1C2(C)C produce a positive toxicity call in the ATG_RORE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1592704
|
Given a compound's SMILES string, does CC(=O)OCC(COC(C)=O)OC(C)=O produce a positive toxicity call in the APR_HepG2_MicrotubuleCSK_72h_up APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
289207
|
Is CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O, given as a SMILES string, classified as toxic in the ATG_LXRa_TRANS_up Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4303617
|
Does the compound CCOCCO result in a positive toxicity outcome in the ATG_AP_1_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2996424
|
In the ATG_NRF1_CIS_up Attagene reporter-gene assay, does the molecule C=CCCCCCCCCC(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3833280
|
Does the compound O=C(O)COc1ccc(Cl)cc1Cl result in a positive toxicity outcome in the ATG_Xbp1_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4572050
|
In the TOX21_PPARd_BLA_agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(O)CC(O)(CC(=O)O)C(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3774995
|
In the TOX21_ARE_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-] show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4819284
|
In the BSK_BE3C_MMP1_up BioSeek primary-cell biomarker panel, does the molecule Oc1ccc(O)cc1 show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
93383
|
In the BSK_hDFCGF_VCAM1_down BioSeek primary-cell biomarker panel, does the molecule COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
795073
|
Given a candidate compound's SMILES string, is the compound O=C(Cl)/C=C/C(=O)Cl toxic in the TOX21_AR_LUC_MDAKB2_Antagonist assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
236974
|
Does the compound Nc1c(Cl)cc([N+](=O)[O-])cc1Cl result in a positive toxicity outcome in the BSK_4H_MCP1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1609153
|
Is CC(C)(C)c1ccc(O)cc1, given as a SMILES string, classified as toxic in the TOX21_FXR_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1337544
|
Given a candidate compound's SMILES string, is the compound CCCCCCCCCCCC(=O)OCC(O)CO toxic in the TOX21_MMP_ratio_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4538858
|
Given a candidate compound's SMILES string, is the compound CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 toxic in the ATG_SREBP_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
295858
|
Does the compound Br.CCCCCCCCN1C=CN(C)C1 result in a positive toxicity outcome in the TOX21_TR_LUC_GH3_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3005510
|
In the TOX21_VDR_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule CC(C)C(=O)OC(=O)C(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4068750
|
Does the compound c1ccc2c(c1)oc1ccccc12 result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4376658
|
Does the compound Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C 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
|
1909624
|
Is COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl.O=C(O)C(F)(F)F, given as a SMILES string, classified as toxic in the BSK_hDFCGF_EGFR_down BioSeek primary-cell biomarker panel?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3572476
|
In the BSK_hDFCGF_VCAM1_down BioSeek primary-cell biomarker panel, does the molecule O=[N+]([O-])c1ccc(O)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1394345
|
Given a compound's SMILES string, does Cc1ccc(Cl)cc1 produce a positive toxicity call in the BSK_SAg_IL8_up BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5300534
|
Is OC(CCl)CCl, given as a SMILES string, classified as toxic in the ATG_FoxO_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2343335
|
Does the compound CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC result in a positive toxicity outcome in the ATG_PPARa_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2105919
|
Is CCCCCCCCCCCO, given as a SMILES string, classified as toxic in the BSK_hDFCGF_MMP1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3185634
|
Given a compound's SMILES string, does CCCCC(CC)COC(=O)c1ccccc1C(=O)O produce a positive toxicity call in the BSK_CASM3C_uPAR_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
366852
|
Is CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1541238
|
Does the compound COc1ccc(/C=C/C(=O)O)cc1 result in a positive toxicity outcome in the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3503850
|
Does the compound CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O result in a positive toxicity outcome in the TOX21_ESRE_BLA_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4204233
|
Given a candidate compound's SMILES string, is the compound CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1 toxic in the OT_ER_ERaERa_1440 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3517505
|
In the TOX21_p53_BLA_p3_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule COc1cc(Cl)ccc1Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2351796
|
Given a candidate compound's SMILES string, is the compound CC(C)c1ccc(C(C)C)cc1 toxic in the ATG_Sox_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5154621
|
Given a compound's SMILES string, does CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1 produce a positive toxicity call in the TOX21_ESRE_BLA_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4847100
|
In the ATG_CRE_CIS_up Attagene reporter-gene assay, does the molecule NN.O=S(=O)(O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2548773
|
Given a compound's SMILES string, does CC(C)OC(=O)CCCCC(=O)OC(C)C produce a positive toxicity call in the TOX21_ESRE_BLA_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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