-
1
-
-
0000026339
-
Orthogonal molecular descriptors
-
Randić, M. Orthogonal molecular descriptors. New J. Chem. 1991, 15, 517-525.
-
(1991)
New J. Chem.
, vol.15
, pp. 517-525
-
-
Randić, M.1
-
2
-
-
0001239360
-
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors
-
Randić, M. Resolution of ambiguities in structure-property studies by use of orthogonal descriptors. J. Chem. Inf. Comput. Sci. 1991, 31, 311-370.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 311-370
-
-
Randić, M.1
-
3
-
-
0000349628
-
Fitting of non linear regressions by orthogonalized power series
-
Randić, M. Fitting of non linear regressions by orthogonalized power series. J. Comput. Chem. 1993, 14, 363-370.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 363-370
-
-
Randić, M.1
-
5
-
-
0000626101
-
Link between orthogonal and standard multiple linear regression models
-
Soškić, M.; Plavsić, D.; Trinajstić, N. Link between orthogonal and standard multiple linear regression models. J Chem. Inf. Comput. Sci. 1996, 36, 829-832.
-
(1996)
J Chem. Inf. Comput. Sci.
, vol.36
, pp. 829-832
-
-
Soškić, M.1
Plavsić, D.2
Trinajstić, N.3
-
6
-
-
0028270315
-
Structure-property relationships of amino acids and some dipeptides
-
Pogliani, L. Structure-property relationships of amino acids and some dipeptides. Amino Acids 1994, 6, 141-153
-
(1994)
Amino Acids
, vol.6
, pp. 141-153
-
-
Pogliani, L.1
-
7
-
-
33751158192
-
Molecular connectivity descriptors of the physicochemical properties of the α-amino acids
-
Pogliani, L. Molecular connectivity descriptors of the physicochemical properties of the α-amino acids. J. Phys. Chem. 1994, 98, 1494- 1499.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1494-1499
-
-
Pogliani, L.1
-
8
-
-
0000454637
-
Molecular modeling by linear combination of connectivity indexes
-
Pogliani, L. Molecular modeling by linear combination of connectivity indexes. J. Phys. Chem. 1995, 99, 925-937.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 925-937
-
-
Pogliani, L.1
-
9
-
-
0012009301
-
A strategy for molecular modeling of a physicochemical property using a linear combination of connectivity indexes
-
Pogliani, L. A strategy for molecular modeling of a physicochemical property using a linear combination of connectivity indexes. Croat. Chem. Acta 1996, 69, 95-109.
-
(1996)
Croat. Chem. Acta
, vol.69
, pp. 95-109
-
-
Pogliani, L.1
-
10
-
-
0033603210
-
Properties of molecular connectivity terms and physico- Chemical properties
-
Pogliani, L. Properties of molecular connectivity terms and physico- chemical properties. J. Mol. Struct. (THEOCHEM) 1999, 466, 1-19.
-
(1999)
J. Mol. Struct. (THEOCHEM)
, vol.466
, pp. 1-19
-
-
Pogliani, L.1
-
11
-
-
0000223829
-
Modeling properties with higher-level molecular connectivity descriptors
-
Pogliani, L. Modeling properties with higher-level molecular connectivity descriptors. J. Chem. Inf. Comput. Sci. 1999, 39, 104-111.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 104-111
-
-
Pogliani, L.1
-
12
-
-
0034299377
-
From molecular connectivity indices to semiempirical connectivity terms: Recent trends in graph theoretical descriptors
-
Pogliani, L. From molecular connectivity indices to semiempirical connectivity terms: Recent trends in graph theoretical descriptors. Chem. Rev. 2000, 100, 3827-3858.
-
(2000)
Chem. Rev.
, vol.100
, pp. 3827-3858
-
-
Pogliani, L.1
-
13
-
-
0000580290
-
Comparison of weighting schemes for molecular descriptors: Application on quantitative structure - Retention relationship models for alkylphenols in gas-liquid chromatography
-
Ivanciuc, O.; Ivanciuc, T.; Carbos-Bass, D.; Balaban, A. T. Comparison of weighting schemes for molecular descriptors: Application on quantitative structure - retention relationship models for alkylphenols in gas-liquid chromatography. J. Chem. Inf. Comput. Sci. 2000, 40, 732-743.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 732-743
-
-
Ivanciuc, O.1
Ivanciuc, T.2
Carbos-Bass, D.3
Balaban, A.T.4
-
14
-
-
8644280181
-
On the characterization of molecular branching
-
Randić, M. On the characterization of molecular branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 6609-6615
-
-
Randić, M.1
-
15
-
-
0017133376
-
Molecular Connectivity V. Connectivity series concept applied to density
-
Kier, L. B.; Murray, W. J.; Randić, M.; Hall, L. H. Molecular Connectivity V. Connectivity series concept applied to density. J. Pharm. Soc. 1976, 65, 1226-1230.
-
(1976)
J. Pharm. Soc.
, vol.65
, pp. 1226-1230
-
-
Kier, L.B.1
Murray, W.J.2
Randić, M.3
Hall, L.H.4
-
17
-
-
0002093768
-
New developments in QSPR/QSAR modeling based on topological indices
-
Lučić, B.; Trinajstić, N. New developments in QSPR/QSAR modeling based on topological indices. SAR QSAR Environ. Res. 1997, 7, 45- 62.
-
(1997)
SAR QSAR Environ. Res.
, vol.7
, pp. 45-62
-
-
Lučić, B.1
Trinajstić, N.2
-
18
-
-
0000435983
-
Isomeric variations in alkanes: Boiling points of nonanes
-
Randić, M.; Trinajstić, N. Isomeric variations in alkanes: Boiling points of nonanes. New J. Chem. 1994, 19, 179-188.
-
(1994)
New J. Chem.
, vol.19
, pp. 179-188
-
-
Randić, M.1
Trinajstić, N.2
-
19
-
-
0346958414
-
A comment on construction of orthogonal molecular descriptors
-
Submitted for publication
-
Randić, M. A comment on construction of orthogonal molecular descriptors, J. Chem, Inf. Comput. Sci. Submitted for publication.
-
J. Chem, Inf. Comput. Sci.
-
-
Randić, M.1
-
20
-
-
84913723369
-
Molecular shape as a critical factor in strucrure - Property-activity studies
-
Randić, M.; Seybold, P. G. Molecular shape as a critical factor in strucrure - property-activity studies. SAR QSAR Environ. Res. 1993, 1, 77-85.
-
(1993)
SAR QSAR Environ. Res.
, vol.1
, pp. 77-85
-
-
Randić, M.1
Seybold, P.G.2
-
21
-
-
0040888006
-
A new efficient approach for variable selection on Multiregression: Prediction of gas chromatographic retention ties and response factors
-
Lučič, B.; Trinajstić, N.; Sild, S.; Karelson, M.; Katritzky, A. R. A new efficient approach for variable selection on Multiregression: Prediction of gas chromatographic retention ties and response factors. J. Chem. Inf. Comput. Sci. 1999, 39, 610-61.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 610-661
-
-
Lučič, B.1
Trinajstić, N.2
Sild, S.3
Karelson, M.4
Katritzky, A.R.5
-
22
-
-
0011927543
-
A structure- Property study of the solubility of aliphatic alcohols in water
-
Lučić, B.; Nikolić, S.; Trinajstić, N.; Junć, D.; Mihalić, Z. A structure- property study of the solubility of aliphatic alcohols in water. Croat. Chem. Acta 1995, 68, 417-434.
-
(1995)
Croat. Chem. Acta
, vol.68
, pp. 417-434
-
-
Lučić, B.1
Nikolić, S.2
Trinajstić, N.3
Junć, D.4
Mihalić, Z.5
-
23
-
-
0001111013
-
A novel QSAR approach to physicochemical properties of the α-amino acids
-
Lučić, B.; Nikolic, S.; Trinajstić, N.; Juretic, D.; Juric, A. A novel QSAR approach to physicochemical properties of the α-amino acids. Croat. Chem. Acta 1995, 68, 435-450.
-
(1995)
Croat. Chem. Acta
, vol.68
, pp. 435-450
-
-
Lučić, B.1
Nikolic, S.2
Trinajstić, N.3
Juretic, D.4
Juric, A.5
-
24
-
-
0029409459
-
Structure-activity correlation of flavone derivatives for inhibition of cAMP phosphodiesterase
-
Amić, D.; Davidović-Amić, D.; Jurić, A.; Lučić, B.; Trinajstić, N. Structure-activity correlation of flavone derivatives for inhibition of cAMP phosphodiesterase. J. Chem. Inf. Comput. Sci. 1995, 35, 1034- 1038.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 1034-1038
-
-
Amić, D.1
Davidović-Amić, D.2
Jurić, A.3
Lučić, B.4
Trinajstić, N.5
-
25
-
-
0001493630
-
The structure - Property models can be improved using the orthogonalized descriptors
-
Lučić, B.; Nikolić, S.; Trinajstić, N.; Juretic, D. The structure - property models can be improved using the orthogonalized descriptors. J. Chem. Inf. Comput. Sci. 1995, 35, 532-538.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 532-538
-
-
Lučić, B.1
Nikolić, S.2
Trinajstić, N.3
Juretic, D.4
-
26
-
-
0000043216
-
The use of ordered orthogonalized multivariate linear regressions in a structure - Activity study of coumerin and flavonoid derivatives as inhibitors of aldose reductase
-
Amić, D.; Davidović-Amicc, D.; Beslo, D.; Lučić, B.; Trinajstić, N. The use of ordered orthogonalized multivariate linear regressions in a structure - activity study of coumerin and flavonoid derivatives as inhibitors of aldose reductase. J. Chem. Inf. Comput. Sci. 1997, 37, 581-586.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 581-586
-
-
Amić, D.1
Davidović-Amicc, D.2
Beslo, D.3
Lučić, B.4
Trinajstić, N.5
-
27
-
-
0002483594
-
Multivariate regression outperforms several robust architectures of neural networks in QSAR modeling
-
Lučic, B.; Trinajstić, N. Multivariate regression outperforms several robust architectures of neural networks in QSAR modeling. J. Chem. Inf. Comput. Sci. 1999, 39, 121-132.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 121-132
-
-
Lučic, B.1
Trinajstić, N.2
-
29
-
-
33947090750
-
Pattern recognition. A powerful approach to inteipeting chemical data
-
Kovalski, B. R.; Bender, C. F. Pattern recognition. A powerful approach to inteipeting chemical data. J. Am. Chem. Soc. 1972, 94, 4, 5632-5639.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, Issue.4
, pp. 5632-5639
-
-
Kovalski, B.R.1
Bender, C.F.2
-
30
-
-
58149421595
-
Analysis of a complex of statistical variables into principal componentns
-
Hotelling, H. Analysis of a complex of statistical variables into principal componentns. J. Educ. Psychol. 1933, 24, 417-441 and 489-520.
-
(1933)
J. Educ. Psychol.
, vol.24
, pp. 417-441
-
-
Hotelling, H.1
|