id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
364768
|
Does the compound CCCCCCCC[Si](OCC)(OCC)OCC result in a positive toxicity outcome in the ATG_LXRa_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5442379
|
Given a candidate compound's SMILES string, is the compound CC(O)CO toxic in the OT_ER_ERaERb_1440 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
434758
|
In the ATG_RARa_TRANS_up Attagene reporter-gene assay, does the molecule Nc1ccc(S(N)(=O)=O)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3491278
|
Given a compound's SMILES string, does CNC(=O)CSP(=S)(OC)OC produce a positive toxicity call in the BSK_3C_IL8_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
898402
|
Is C=C[Si](OCCOC)(OCCOC)OCCOC, given as a SMILES string, classified as toxic in the ATG_TCF_b_cat_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4022591
|
Is FC(F)(F)c1ccc(Cl)cc1Cl, given as a SMILES string, classified as toxic in the TOX21_AR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1443289
|
In the BSK_hDFCGF_EGFR_up 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
|
2395743
|
Given a candidate compound's SMILES string, is the compound CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1C toxic in the ATG_Pax6_CIS_up assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4934052
|
Is C=C(CC(=O)O)C(=O)O, 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
|
5332354
|
Given a candidate compound's SMILES string, is the compound C[C@@H](O)[C@H](N)C(=O)O toxic in the TOX21_p53_BLA_p2_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2701223
|
Does the compound CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC result in a positive toxicity outcome in the ATG_HIF1a_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1509945
|
Does the compound SCc1ccccc1 result in a positive toxicity outcome in the TOX21_GR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3158257
|
Given a candidate compound's SMILES string, is the compound CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 toxic in the BSK_BE3C_PAI1_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2656711
|
Is O.O.O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1, 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
|
1718908
|
In the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CCN[C@@H](C)Cc1ccccc1.Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
816781
|
Is C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12, given as a SMILES string, classified as toxic in the TOX21_FXR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1128861
|
Given a candidate compound's SMILES string, is the compound Cc1cc(Cl)ccc1OCC(=O)[O-].[Na+] toxic in the TOX21_TR_LUC_GH3_Agonist assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5091958
|
In the TOX21_AR_LUC_MDAKB2_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule C=C(C)C(=O)OCCN(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
625286
|
In the TOX21_AutoFluor_HEK293_Cell_blue NIH/EPA Tox21 reporter-gene assay, does the molecule O=c1c(O)c(O)c1=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1115163
|
Given a candidate compound's SMILES string, is the compound CC(C)CCCC(C)CCO toxic in the ATG_NRF2_ARE_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2336735
|
In the BSK_BE3C_uPAR_up BioSeek primary-cell biomarker panel, does the molecule COC(=O)CCCC(=O)OC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2500861
|
Is CC(=O)OC/C=C(\C)CCC=C(C)C, 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
|
4196042
|
Does the compound [Na+].[O-]c1ccccc1 result in a positive toxicity outcome in the OT_AR_ARSRC1_0960 OregonTox receptor–co-activator assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5094932
|
Is CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1, given as a SMILES string, classified as toxic in the OT_ER_ERbERb_0480 OregonTox receptor–co-activator assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3586107
|
Is O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12, given as a SMILES string, classified as toxic in the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2909315
|
Given a compound's SMILES string, does CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1 produce a positive toxicity call in the ATG_IR1_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4503911
|
Given a candidate compound's SMILES string, is the compound COCCOC toxic in the TOX21_FXR_BLA_antagonist_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
237403
|
Is Nc1ccccc1[N+](=O)[O-], given as a SMILES string, classified as toxic in the ATG_TGFb_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1692236
|
Given a compound's SMILES string, does CCCCCCCCCCCCc1ccc(O)cc1 produce a positive toxicity call in the TOX21_p53_BLA_p2_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4483276
|
In the ATG_LXRb_TRANS_up Attagene reporter-gene assay, does the molecule CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1252912
|
Is Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3773428
|
Given a compound's SMILES string, does O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+] produce a positive toxicity call in the TOX21_PPARd_BLA_agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2470489
|
In the ATG_PPARa_TRANS_dn Attagene reporter-gene assay, does the molecule O=Nc1ccc(O)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1862181
|
Is c1cc(N(CC2CO2)CC2CO2)ccc1OCC1CO1, given as a SMILES string, classified as toxic in the ATG_AR_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1349519
|
Given a candidate compound's SMILES string, is the compound O=C(O)/C=C/C(=O)O toxic in the ATG_BRE_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1255181
|
Given a candidate compound's SMILES string, is the compound CC(C=O)Cc1ccc(C(C)(C)C)cc1 toxic in the OT_FXR_FXRSRC1_0480 assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1778411
|
Does the compound O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O.[Na+] 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
|
2857217
|
In the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule COC(=O)OC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5023681
|
In the ATG_LXRb_TRANS_dn Attagene reporter-gene assay, does the molecule Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1141081
|
Given a candidate compound's SMILES string, is the compound CCCCCCCCC=O toxic in the ATG_TCF_b_cat_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
874469
|
Does the compound O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F result in a positive toxicity outcome in the TOX21_GR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
741846
|
Given a compound's SMILES string, does CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] produce a positive toxicity call in the BSK_CASM3C_MIG_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2383773
|
Is COS(C)(=O)=O, given as a SMILES string, classified as toxic in the APR_HepG2_NuclearSize_72h_dn APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
394361
|
In the ATG_PPARa_TRANS_dn Attagene reporter-gene assay, does the molecule CC(=O)CC(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1986141
|
In the TOX21_GR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule CCCNC(C)(C)COC(=O)c1ccccc1.Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4905369
|
Is [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O.[Na+], given as a SMILES string, classified as toxic in the ATG_FXR_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5036209
|
In the ATG_PBREM_CIS_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?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
124531
|
Given a candidate compound's SMILES string, is the compound CCCCCCCC(=O)OC toxic in the BSK_3C_ICAM1_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2729843
|
Does the compound c1nc[nH]n1 result in a positive toxicity outcome in the ATG_Sox_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
856168
|
Given a compound's SMILES string, does Cc1cc(Cc2ccc(N)c(C)c2)ccc1N produce a positive toxicity call in the TOX21_p53_BLA_p3_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4248511
|
Is CC(=O)CCc1ccc2c(c1)OCO2, given as a SMILES string, classified as toxic in the ATG_GLI_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4414513
|
In the NVS_NR_rAR Novascreen nuclear-receptor binding assay, does the molecule C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
186529
|
Given a compound's SMILES string, does Cc1c(O)cccc1O produce a positive toxicity call in the TOX21_p53_BLA_p2_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3730080
|
Does the compound C(=NC1CCCCC1)=NC1CCCCC1 result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ch1 NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3404952
|
Does the compound COP(=O)(NC(C)=O)SC result in a positive toxicity outcome in the BSK_BE3C_HLADR_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3115167
|
Does the compound Cc1cc(C)c(O)c(C)c1 result in a positive toxicity outcome in the ATG_NRF2_ARE_CIS_up Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2178593
|
Given a candidate compound's SMILES string, is the compound CC(=O)[O-].CC(=O)[O-].[Mn+2] toxic in the ATG_ERRa_TRANS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3004407
|
Does the compound Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 result in a positive toxicity outcome in the Tanguay_ZF_120hpf_PIG_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3495865
|
Does the compound Sc1nc2ccccc2s1 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
|
2974254
|
Is Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=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
|
5225695
|
Does the compound CC(C)(C)c1ccc(O)c(C(C)(C)C)c1 result in a positive toxicity outcome in the NVS_GPCR_bAdoR_NonSelective Novascreen GPCR binding assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1125193
|
Is C=CCCCCCCCCC(=O)O, given as a SMILES string, classified as toxic in the TOX21_AR_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4490256
|
Is C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=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
|
2853253
|
Given a candidate compound's SMILES string, is the compound CC12CCC(C1)C(C)(C)C2O toxic in the TOX21_AR_BLA_Antagonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1180018
|
Does the compound Nn1cnnc1 result in a positive toxicity outcome in the TOX21_ERa_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2528016
|
Is c1ccc(CCc2ccccc2)cc1, given as a SMILES string, classified as toxic in the TOX21_FXR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
29197
|
Given a compound's SMILES string, does CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC produce a positive toxicity call in the TOX21_GR_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5141725
|
Is c1ccc([Hg]c2ccccc2)cc1, given as a SMILES string, classified as toxic in the ATG_IR1_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
574572
|
Given a compound's SMILES string, does COc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC produce a positive toxicity call in the NVS_NR_cAR Novascreen nuclear-receptor binding assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2332136
|
In the TOX21_ELG1_LUC_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule O=C(O)CCC(=O)C(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2364991
|
In the ATG_ERE_CIS_up Attagene reporter-gene assay, does the molecule ClCCOCCOCCCl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3711268
|
Does the compound COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)O result in a positive toxicity outcome in the TOX21_p53_BLA_p5_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2524971
|
Is CCCCOP(=O)(CCCC)OCCCC, 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
|
4680484
|
Given a candidate compound's SMILES string, is the compound Cc1ccc(N(C)C)cc1 toxic in the TOX21_AR_BLA_Agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2820830
|
Does the compound OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F result in a positive toxicity outcome in the BSK_SAg_CD40_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1609278
|
Given a candidate compound's SMILES string, is the compound C=CC(=C)CCC=C(C)C toxic in the TOX21_ARE_BLA_Agonist_ch2 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2666526
|
Given a compound's SMILES string, does CCCCCNCCCCC produce a positive toxicity call in the TOX21_p53_BLA_p3_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2969904
|
Does the compound Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O.Cl result in a positive toxicity outcome in the APR_HepG2_StressKinase_72h_up APR high-content imaging assay (HepG2 cells)?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2809137
|
Given a compound's SMILES string, does CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 produce a positive toxicity call in the ATG_Ets_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1518529
|
Does the compound Cc1ccc(C)c(S(=O)(=O)[O-])c1.[Na+] result in a positive toxicity outcome in the ATG_C_EBP_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2828099
|
Does the compound CCCCCCCCOS(=O)(=O)[O-].[Na+] result in a positive toxicity outcome in the ATG_HNF6_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4286452
|
Is CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Ca+2], given as a SMILES string, classified as toxic in the TOX21_FXR_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1928556
|
In the TOX21_PPARg_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
568502
|
Is CCCCCCCCO, given as a SMILES string, classified as toxic in the TOX21_MMP_ratio_up NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4449476
|
In the TOX21_AR_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule Oc1cccc(O)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3798938
|
Does the compound C=C(CC(=O)O)C(=O)O result in a positive toxicity outcome in the ATG_NRF2_ARE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5284353
|
Is CCCCCCBr, given as a SMILES string, classified as toxic in the TOX21_HSE_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5003217
|
Given a candidate compound's SMILES string, is the compound Cc1c[nH]c(=O)[nH]c1=O toxic in the ATG_M_32_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4556226
|
Is CCCCCCCC[Si](OCC)(OCC)OCC, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p1_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2487365
|
Given a compound's SMILES string, does Cc1ccc([N+](=O)[O-])cc1C produce a positive toxicity call in the Tanguay_ZF_120hpf_CIRC_up zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4770804
|
In the ATG_C_EBP_CIS_dn Attagene reporter-gene assay, does the molecule COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
450429
|
Given a candidate compound's SMILES string, is the compound CCCc1ccccc1 toxic in the ATG_AP_1_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2996641
|
Is CC(=O)C=O, given as a SMILES string, classified as toxic in the ATG_PXRE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2810967
|
Is NCCCC(=O)O, given as a SMILES string, classified as toxic in the TOX21_Aromatase_Inhibition NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
948654
|
Is c1ccc2c(c1)Oc1ccccc1O2, given as a SMILES string, classified as toxic in the ATG_EGR_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3099953
|
Given a compound's SMILES string, does COCCOC(=O)c1ccccc1C(=O)OCCOC produce a positive toxicity call in the ATG_Myc_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5347580
|
Is O=C(C(=O)c1ccccc1)c1ccccc1, given as a SMILES string, classified as toxic in the TOX21_VDR_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
144219
|
Does the compound O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O result in a positive toxicity outcome in the ATG_DR5_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
476627
|
Is CC(C)(COCC1CO1)COCC1CO1, given as a SMILES string, classified as toxic in the ATG_NRF2_ARE_CIS_up Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3155861
|
Is O=C(Cl)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl, given as a SMILES string, classified as toxic in the BSK_BE3C_tPA_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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