pdf string | doi string | doi_sourse string | supplementary int64 | title string | publisher string | year int64 | access int64 | compound_id string | compound_name string | SMILES string | SMILES_type string | metal string | target string | page_smiles int64 | origin_smiles string | page_metal int64 | origin_metal string | page_target_value float64 | origin_target_value string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1002/chem.201705528 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B38 | null | O=C(O)CN1CCN(Cc2cccc(C(=O)O)n2)CCN(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 20,49 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/acs.inorgchem.8b00598 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B39 | null | O=C(O)CN1CCN(Cc2cccc(C(=O)O)n2)CCN(Cc2cccc(C(=O)O)n2)Cc2cccc(n2)C1 | ligand | Gd | 23,44 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/acs.inorgchem.8b00598 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B40 | null | O=C(O)CN1CCN(Cc2cccc(C(=O)O)n2)Cc2cccc(n2)CN(Cc2cccc(C(=O)O)n2)CC1 | ligand | Gd | 23,56 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00112a040 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B41 | null | O=C(O)CN1Cc2cccc(n2)CN(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 14,5 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic301369z | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B42 | null | O=C(O)c1cccc(CN2Cc3cccc(n3)CN(Cc3cccc(C(=O)O)n3)Cc3cccc(n3)C2)n1 | ligand | Gd | 13,62 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1002/ejoc.200400264 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B43 | null | O=C(O)CN1CCCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CCC1 | ligand | Gd | 9,34 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/S0020-1693(00)80229-7 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B44 | H4TRITA | O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 19,17 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/S0020-1693(00)80229-7 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B45 | H4TETA | O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CC1 | ligand | Gd | 13,77 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic9011197 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B46 | null | O=C(O)c1cccc(CN2CCOCCN(Cc3cccc(C(=O)O)n3)CCOCC2)n1 | ligand | Gd | 18,82 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00067a022 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | B47 | H3ODOTRA | O=C(O)CN1CCOCCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 21,6 | 7 | figure 5 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00009a027 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | C1 | H3NOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 13,7 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1002/ejic.201101162 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | C2 | null | O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cccc(C(=O)O)n2)CC1 | ligand | Gd | 13,9 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1002/chem.200501390 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | C3 | null | O=C(O)CN1CCN(Cc2cccc(C(=O)O)n2)CCN(Cc2cccc(C(=O)O)n2)CC1 | ligand | Gd | 15,8 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/b907738c | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | C4 | null | O=C(O)CCN1CCN(Cc2cccc(C(=O)O)n2)CCN(Cc2cccc(C(=O)O)n2)CC1 | ligand | Gd | 15,1 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/b907738c | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | C5 | null | O=C(O)c1cccc(CN2CCN(Cc3cccc(C(=O)O)n3)CCN(CP(=O)(O)O)CC2)n1 | ligand | Gd | 19,5 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00168a010 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | D1 | H2DACDA | O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCCOCC1 | ligand | Gd | 11,93 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ja808534w | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | D2 | H2MACROPA | O=C(O)c1cccc(CN2CCOCCOCCN(Cc3cccc(C(=O)O)n3)CCOCCOCC2)n1 | ligand | Gd | 13,02 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00294a023 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | D3 | null | O=C(O)CCN1CCOCCOCCN(CCC(=O)O)CCOCCOCC1 | ligand | Gd | 7,02 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00294a023 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | D4 | null | O=C(O)CN1CCOCCOCCNCCOCCOCC1 | ligand | Gd | 7,29 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00067a022 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | D5 | null | O=C(O)CN1CCOCCN(CC(=O)O)CCOCCN(CC(=O)O)CCOCC1 | ligand | Gd | 18,02 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1080/10610279608032556 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | D6 | H4PYTA | O=C(O)CN1CCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CCN(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 21,7 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00223a025 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | E1 | null | O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCC1 | ligand | Gd | 11,66 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/C0DT00746C | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | E2 | null | O=C(O)c1cccc(CN2CCOCCOCCN(Cc3cccc(C(=O)O)n3)CCOCC2)n1 | ligand | Gd | 11,41 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00067a022 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | E3 | null | O=C(O)CN1CCOCCN(CC(=O)O)CCN(CC(=O)O)CCOCC1 | ligand | Gd | 17,23 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1006/mchj.1996.0026 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | E4 | null | O=C(O)CCN1CCOCCN(CCC(=O)O)CCN(CCC(=O)O)CCOCC1 | ligand | Gd | 11,23 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/C0DT00746C | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F1 | H4AAZTA | O=C(O)CC(CC(=O)O)C1CN(CC(=O)O)CCN(CC(=O)O)C1 | ligand | Gd | 20,24 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00067a023 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F1 | H4AAZTA | O=C(O)CN1CCN(CC(=O)O)CC(N(CC(=O)O)CC(=O)O)C1 | ligand | Gd | 18,93 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1006/mchj.1996.0027 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F2 | null | O=C(O)CCCCC1(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CCN(CC(=O)O)C1 | ligand | Gd | 20,33 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/C0DT00746C | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F3 | null | O=C(O)CCC1(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CCN(CC(=O)O)C1 | ligand | Gd | 20,06 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/ic00067a024 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F4 | null | CC1(C(CC(=O)O)CC(=O)O)CN(CC(=O)O)C2CCCCC2N(CC(=O)O)C1 | ligand | Gd | 18,26 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1006/mchj.1996.0028 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F5 | null | CC1(C(CC(=O)O)Cc2ccccc2O)CN(CC(=O)O)CCN(CC(=O)O)C1 | ligand | Gd | 25,06 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/C0DT00746C | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | F6 | null | CC1(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CCN(Cc2ccccc2O)C1 | ligand | Gd | 19,57 | 8 | figure 6 | 1 | title | 6 | table 2 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/j.ccr.2022.214606 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T1 | null | O=C(O)CN1CCN(CC(=O)O)CCN(Cc2ccccn2)CC1 | ligand | Gd | 12,55 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/j.ccr.2022.214606 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T2 | null | NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 11,9 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/j.ccr.2022.214606 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T3 | null | O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)Cc1ccccn1 | ligand | Gd | 14,47 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/j.ccr.2022.214606 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T4 | null | O=C(O)CN(Cc1ccccn1)C1CCCCC1N(CC(=O)O)Cc1ccccn1 | ligand | Gd | 12,07 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/j.ccr.2022.214606 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T5 | null | O=C(O)CN(Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1 | ligand | Gd | 16,2 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1016/j.ccr.2022.214606 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T6 | null | O=C(O)c1cccc(CN(Cc2cccc(C(=O)O)n2)Cc2cccc(C(=O)O)n2)n1 | ligand | Gd | 17,77 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/acs.inorgchem.0c00372 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T7 | null | CN(CCOCCN(C)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1 | ligand | Gd | 12,02 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/acs.inorgchem.0c00372 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T8 | null | O=C(O)CN(CCOCCN(CC(=O)O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1 | ligand | Gd | 20,5 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.3390/molecules24183324 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T9 | null | O=P(O)(O)CN1CCNCCNCCN(CP(=O)(O)O)CC1 | ligand | Gd | 19,15 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/acs.inorgchem.1c01927 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T10 | null | O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)C(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 19,26 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1021/acs.inorgchem.9b03345 | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T11 | null | O=C(O)CN1Cc2cccc(n2)CN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 18,3 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2022 | 10.1016/j.ccr.2022.214606 | 10.1039/C7DT04104G | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T12 | null | CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O | ligand | Gd | 18,78 | 13 | figure 12 | 1 | title | 14 | table 4 |
uzal2023 | 10.1016/j.ccr.2022.214606 | 10.1039/C7DT04104G | 0 | Prediction of Gd(III) complex thermodynamic stability | Elsevier BV | 2,022 | 1 | T13 | null | CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCCC)CCN(CC(=O)O)CC1 | ligand | Gd | 19,3 | 13 | figure 12 | 1 | title | 14 | table 4 |
dioury2014 | 10.1021/ci500346w | 10.1002/ejoc.200400264 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 1 | PCTA14 | O=C(O)CN1CCCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CCC1 | ligand | Gd | 9,34 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic960794b | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 1 | PCTA14 | O=C(O)CN1CCCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CCC1 | ligand | Gd | 12,5 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic960794b | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 2 | PCTA13 | O=C(O)CN1CCCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CC1 | ligand | Gd | 19,3 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic0608750 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 3 | PCTA12 | O=C(O)CN1CCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CC1 | ligand | Gd | 20,39 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic960794b | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 3 | PCTA12 | O=C(O)CN1CCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CC1 | ligand | Gd | 21 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/bc8004914 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 4 | NB-PCTA12 | O=C(O)CN1CCN(CC(=O)O)CC(Cc2ccc([N+](=O)[O-])cc2)N(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 19,42 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00112a040 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 5 | BP2A | O=C(O)CN1Cc2cccc(n2)CN(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 14,5 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00112a040 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 6 | PC2A | O=C(O)CN1CCNCCN(CC(=O)O)Cc2cccc(n2)C1 | ligand | Gd | 16,6 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00091a032 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 7 | DTPA-OAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCCOCCOCCNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 17,4 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 7 | DTPA-OAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCCOCCOCCNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 17,44 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 8 | DTPA-XAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCc2ccc(cc2)CNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 12,34 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 9 | DTPA-PenAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCCCCCNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 15,94 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00067a022 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 10 | TTCT | O=C(O)CN1CCOCCN(CC(=O)O)CCOCCN(CC(=O)O)CCOCC1 | ligand | Gd | 18,02 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/0730-725x(92)90444-5 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 10 | TTCT | O=C(O)CN1CCOCCN(CC(=O)O)CCOCCN(CC(=O)O)CCOCC1 | ligand | Gd | 18,07 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1002/chin.198201094 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 11 | TTCT-Me3 | CC(C(=O)O)N1CCOCCN(C(C)C(=O)O)CCOCCN(C(C)C(=O)O)CCOCC1 | ligand | Gd | 16,27 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00168a010 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 12 | DACDA | O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCCOCC1 | ligand | Gd | 11,93 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 13 | DTPA-BAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCCCCNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 15,39 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 14 | DTPA-cisC=C-BAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCC=CCNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 15,56 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 15 | DTPA-PAM | O=C(O)CN1CCN(CC(=O)O)CC(=O)NCCCNC(=O)CN(CC(=O)O)CC1 | ligand | Gd | 14,49 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00046a015 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 16 | EDTA-DAM | O=C(O)CN1CCNC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCC1 | ligand | Gd | 15,14 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00091a032 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 16 | EDTA-DAM | O=C(O)CN1CCNC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCC1 | ligand | Gd | 15,3 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00067a022 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 17 | N-ac3[15]aneN3O2 | O=C(O)CN1CCOCCN(CC(=O)O)CCN(CC(=O)O)CCOCC1 | ligand | Gd | 17,23 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/s0020-1693(97)05660-0 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 17 | N-ac3[15]aneN3O2 | O=C(O)CN1CCOCCN(CC(=O)O)CCN(CC(=O)O)CCOCC1 | ligand | Gd | 17,3 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1006/mchj.1996.0026 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 18 | N-ac3[15]aneN3O2-Me3 | CC(C(=O)O)N1CCOCCN(C(C)C(=O)O)CCN(C(C)C(=O)O)CCOCC1 | ligand | Gd | 11,49 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00223a025 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 19 | DAPDA | O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCC1 | ligand | Gd | 11,66 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/s0020-1693(00)80229-7 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 20 | TETA | O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CC1 | ligand | Gd | 13,77 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00006a021 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 20 | TETA | O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCN(CC(=O)O)CC1 | ligand | Gd | 14,73 | 31 | table S5 | 1 | title | 2 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/s0020-1693(00)80229-7 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 21 | TRITA | O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 19,17 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00032a034 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 22,1 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/0020-1693(94)03964-x | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 23,6 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/s0020-1693(00)80229-7 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 24 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00253a038 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 24,6 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/0020-1693(96)05182-1 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 24,67 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1351/pac200577081445 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 25 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00094a021 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 25,3 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1002/mrm.1910220215 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 25,6 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1039/a700519i | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 26,03 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00032a035 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 27 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.3406/barb.1978.58463 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 22 | DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 28 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1002/mrm.1910220215 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 23 | MCTA | CC1CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN1CC(=O)O | ligand | Gd | 26,3 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic0353007 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 24 | NB-DOTA | O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)C(Cc2ccc([N+](=O)[O-])cc2)CN(CC(=O)O)CC1 | ligand | Gd | 24,2 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00032a035 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 25 | DOTA-BOM1 | O=C(O)CN1CCN(CC(=O)O)CCN(C(COCc2ccccc2)C(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 25,93 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00032a035 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 26 | DOTA-BOM2c | O=C(O)CN1CCN(CC(=O)O)CCN(C(COCc2ccccc2)C(=O)O)CCN(C(COCc2ccccc2)C(=O)O)CC1 | ligand | Gd | 25,95 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/s0010-8545(99)00237-4 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 27 | DOTMA | CC(C(=O)O)N1CCN(C(C)C(=O)O)CCN(C(C)C(=O)O)CCN(C(C)C(=O)O)CC1 | ligand | Gd | 23,6 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic2012843 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 28 | NB-DOTMA-1 | CC(C(=O)O)N1CCN(CC(=O)O)C(Cc2ccc([N+](=O)[O-])cc2)CN(C(C)C(=O)O)CCN(C(C)C(=O)O)CC1 | ligand | Gd | 21,53 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic2012843 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 29 | NB-DOTMA | CC(C(=O)O)N1CCN(C(C)C(=O)O)CCN(C(C)C(=O)O)C(Cc2ccc([N+](=O)[O-])cc2)CN(C(C)C(=O)O)CC1 | ligand | Gd | 23,86 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1002/ejic.200300085 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 30 | P730 | O=C(O)CCC(C(=O)O)N1CCN(C(CCC(=O)O)C(=O)O)CCN(C(CCC(=O)O)C(=O)O)CCN(C(CCC(=O)O)C(=O)O)CC1 | ligand | Gd | 24,03 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00302a049 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 31 | DOTA-PA | CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 20,1 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ci500346w | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 32 | AP-DO3A | CNCC(=O)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 21,54 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00095a028 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 33 | HE-DO3A | O=C(O)CN1CCN(CCO)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 22,3 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00094a021 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 34 | HP-DO3A | CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 23,8 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1039/a909098c | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 34 | HP-DO3A | CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 24,5 | 31 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1021/ic00095a028 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 35 | HIP-DO3A | CC(CO)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | ligand | Gd | 23,9 | 32 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/0020-1693(96)05094-3 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 36 | trans-DO3A-Bu | O=C(O)CN1CCN(CC(=O)O)CCN(C(CO)C(O)CO)CCN(CC(=O)O)CC1 | ligand | Gd | 18,7 | 32 | table S5 | 1 | title | 3 | table S1 |
dioury2014 | 10.1021/ci500346w | 10.1016/0020-1693(96)05094-3 | 1 | QSPR Prediction of the Stability Constants of Gadolinium(III) Complexes for Magnetic Resonance Imaging | American Chemical Society (ACS) | 2,014 | 0 | 36 | trans-DO3A-Bu | O=C(O)CN1CCN(CC(=O)O)CCN(C(CO)C(O)CO)CCN(CC(=O)O)CC1 | ligand | Gd | 20,8 | 32 | table S5 | 1 | title | 3 | table S1 |
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