-
1
-
-
33244459539
-
Predicting bioactivity and toxicity of chemicals from mathematical descriptors: A chemical-cum-biochemical approach
-
Klein, D. J., Brandas, E., Eds.; Elsevier-Academic Press: in press
-
Basak, S. C.; Mills, D.; Gute, B. D. Predicting bioactivity and toxicity of chemicals from mathematical descriptors: A chemical-cum-biochemical approach. In Advances In Quantum Chemistry: Chemical Graph Theory: wherefrom, wherefor, & whereto; Klein, D. J., Brandas, E., Eds.; Elsevier-Academic Press: 2005; in press.
-
(2005)
Advances in Quantum Chemistry: Chemical Graph Theory: Wherefrom, Wherefor, & Whereto
-
-
Basak, S.C.1
Mills, D.2
Gute, B.D.3
-
2
-
-
0025071339
-
Mode of action and the assessment of chemical hazards in the presence of limited data: Use of structure-activity relationships (SAR) under TSCA, Section 5
-
Auer, C. M.; Nabholz, J. V.; Baetcke, K. P. Mode of action and the assessment of chemical hazards in the presence of limited data: use of structure-activity relationships (SAR) under TSCA, Section 5. Environ. Health Perspect. 1990, 87, 183-197.
-
(1990)
Environ. Health Perspect.
, vol.87
, pp. 183-197
-
-
Auer, C.M.1
Nabholz, J.V.2
Baetcke, K.P.3
-
4
-
-
0041573625
-
Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromatic parameters,*, a and b, and some methods for simplifying the general solvatochromatic equation
-
Kamlet, M. J.; Abboud, J.-L. M.; Abraham, M. H.; Taft, R. W. Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromatic parameters,*, a and b, and some methods for simplifying the general solvatochromatic equation. J. Org. Chem. 1983, 48, 2877-2887.
-
(1983)
J. Org. Chem.
, vol.48
, pp. 2877-2887
-
-
Kamlet, M.J.1
Abboud, J.-L.M.2
Abraham, M.H.3
Taft, R.W.4
-
5
-
-
0029197397
-
Toxicology of halogenated aliphatic hydrocarbons: Structural and molecular determinants for the disturbance of chromosome segregation and the induction of lipid peroxidation
-
Crebelli R.; Andreoli, C.; Carere, A.; Conti, L.; Crochi, B.; Cotta-Ramusino, M.; Benigni, R. Toxicology of halogenated aliphatic hydrocarbons: structural and molecular determinants for the disturbance of chromosome segregation and the induction of lipid peroxidation. Chemico-Biological Interactions 1995, 98, 113-129.
-
(1995)
Chemico-biological Interactions
, vol.98
, pp. 113-129
-
-
Crebelli, R.1
Andreoli, C.2
Carere, A.3
Conti, L.4
Crochi, B.5
Cotta-Ramusino, M.6
Benigni, R.7
-
6
-
-
0034825849
-
QSAR Modeling of oxidative stress in vitro following hepatocyte exposures to halogenated methanes
-
Geiss, K. T.; Frazier, J. M. QSAR Modeling of oxidative stress in vitro following hepatocyte exposures to halogenated methanes. Toxicol. in Vitro 2001, 15, 557-563.
-
(2001)
Toxicol. in Vitro
, vol.15
, pp. 557-563
-
-
Geiss, K.T.1
Frazier, J.M.2
-
7
-
-
0042199123
-
Prediction of cellular toxicity of halocarbons from computed chemodescriptors: A hierarchical QSAR approach
-
Basak, S. C.; Balasubramanian, K.; Gute, B. D.; Mills, D.; Gorczynska, A.; Roszak, S. Prediction of cellular toxicity of halocarbons from computed chemodescriptors: A hierarchical QSAR approach. J. Chem. Inf. Comput. Sci. 2003, 43, 1103-1109.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 1103-1109
-
-
Basak, S.C.1
Balasubramanian, K.2
Gute, B.D.3
Mills, D.4
Gorczynska, A.5
Roszak, S.6
-
8
-
-
0030532664
-
Correlation between energetics and toxicities of single-carbon halides
-
Kaufman, J. J.; Koski, W. S.; Roszak, S.; Balasubramanian, K. Correlation between energetics and toxicities of single-carbon halides. Chem. Phys. 1996, 204, 233-237.
-
(1996)
Chem. Phys.
, vol.204
, pp. 233-237
-
-
Kaufman, J.J.1
Koski, W.S.2
Roszak, S.3
Balasubramanian, K.4
-
9
-
-
3042616944
-
Halogenated aliphatic toxicity QSARs employing metabolite descriptors
-
Trohalaki, S.; Pachter, R.; Geiss, K. T.; Frazier, J. M. Halogenated aliphatic toxicity QSARs employing metabolite descriptors. J. Chem. Inf. Comput. Sci. 2004, 44, 1186-1192.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1186-1192
-
-
Trohalaki, S.1
Pachter, R.2
Geiss, K.T.3
Frazier, J.M.4
-
10
-
-
0035694864
-
On characterization of proteomics maps and chemically induced changes in proteomes using matrix invariants: Application to peroxisome proliferators
-
Randic, M.; Witzmann, F.; Vracko, M.; Basak, S. C. On characterization of proteomics maps and chemically induced changes in proteomes using matrix invariants: Application to peroxisome proliferators. Med. Chem. Res. 2001, 10, 456-479.
-
(2001)
Med. Chem. Res.
, vol.10
, pp. 456-479
-
-
Randic, M.1
Witzmann, F.2
Vracko, M.3
Basak, S.C.4
-
13
-
-
0017101039
-
Preparation of isolated rat liver cells
-
Prescott, D. M., Ed.; Academic Press: New York
-
Seglen, P. Preparation of isolated rat liver cells. In Methods in Cell Biology; Prescott, D. M., Ed.; Academic Press: New York, 1976; pp 29-83.
-
(1976)
Methods in Cell Biology
, pp. 29-83
-
-
Seglen, P.1
-
14
-
-
0004681116
-
A novel in vitro system for exposures of cell cultures to volatile chemicals
-
Geiss, K. T.; Frazier, J. M. A novel in vitro system for exposures of cell cultures to volatile chemicals. The Toxicologist 2000, 54, 377.
-
(2000)
The Toxicologist
, vol.54
, pp. 377
-
-
Geiss, K.T.1
Frazier, J.M.2
-
15
-
-
1542294422
-
Toxicity screening of halogenated aliphatics using a novel in vitro volatile chemical exposure system
-
Proceedings of the 12th Halon Options Technical Working Conference
-
Geiss, K. T.; Frazier, J. M.; Dodd, D. E. Toxicity screening of halogenated aliphatics using a novel in vitro volatile chemical exposure system, Proceedings of the 12th Halon Options Technical Working Conference, NIST Special Publication 984, 2002.
-
(2002)
NIST Special Publication
, vol.984
-
-
Geiss, K.T.1
Frazier, J.M.2
Dodd, D.E.3
-
17
-
-
0023931883
-
Improved staining of proteins in polyacrylamide gels including isoelectric focusing gels with clear background at nanogram sensitivity using Coomassie Brilliant Blue G-250 and R-250
-
Neuhoff, V.; Arold, N.; Taube, D.; Ehrhardt, W. Improved staining of proteins in polyacrylamide gels including isoelectric focusing gels with clear background at nanogram sensitivity using Coomassie Brilliant Blue G-250 and R-250. Electrophoresis 1988, 9, 255-262.
-
(1988)
Electrophoresis
, vol.9
, pp. 255-262
-
-
Neuhoff, V.1
Arold, N.2
Taube, D.3
Ehrhardt, W.4
-
18
-
-
0021602838
-
Global approaches to quantitative analysis of gene-expression patterns observed by use of two-dimensional gel electrophoresis
-
Anderson, N. L.; Hofmann, J. P.; Gemmell, A.; Taylor, J. Global approaches to quantitative analysis of gene-expression patterns observed by use of two-dimensional gel electrophoresis. Clin. Chem. 1984, 30, 2031-2036.
-
(1984)
Clin. Chem.
, vol.30
, pp. 2031-2036
-
-
Anderson, N.L.1
Hofmann, J.P.2
Gemmell, A.3
Taylor, J.4
-
19
-
-
0004054251
-
-
Copyright of the University of Minnesota
-
Polly, v 2.3; Copyright of the University of Minnesota, 1988.
-
(1988)
Polly, v 2.3
-
-
-
20
-
-
33847029884
-
A new approach for devising local graph invariants: Derived topological indices with low degeneracy and good correlational ability
-
Filip, P. A.; Balaban, T. S.; Balaban, A. T. A New Approach for Devising Local Graph Invariants: Derived Topological Indices with Low Degeneracy and Good Correlational Ability. J. Math. Chem. 1987, 7, 61-83.
-
(1987)
J. Math. Chem.
, vol.7
, pp. 61-83
-
-
Filip, P.A.1
Balaban, T.S.2
Balaban, A.T.3
-
21
-
-
0013460553
-
-
Hall Associates Consulting: Quincy, MA
-
Molconn-Z, v 3.50; Hall Associates Consulting: Quincy, MA, 2000.
-
(2000)
Molconn-Z, v 3.50
-
-
-
22
-
-
0010638182
-
-
Tripos Associates, Inc.: St. Louis, MO
-
Sybyl, v 6.4; Tripos Associates, Inc.: St. Louis, MO, 1997.
-
(1997)
Sybyl, v 6.4
-
-
-
23
-
-
8544254107
-
Structural determination of Paraffin boiling points
-
Wiener, H. Structural Determination of Paraffin Boiling Points. J. Am. Chem. Soc. 1947, 69, 17-20.
-
(1947)
J. Am. Chem. Soc.
, vol.69
, pp. 17-20
-
-
Wiener, H.1
-
24
-
-
8644280181
-
On characterization of molecular branching
-
Randic, M. On Characterization of Molecular Branching. J. Am. Chem. Soc. 1975, 97, 6609-6615.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 6609-6615
-
-
Randic, M.1
-
26
-
-
0343071989
-
Information theory, distance matrix and molecular branching
-
Bonchev, D.; Trinajstic, N. Information Theory, Distance Matrix and Molecular Branching. J. Chem. Phys. 1977, 67, 4517-4533.
-
(1977)
J. Chem. Phys.
, vol.67
, pp. 4517-4533
-
-
Bonchev, D.1
Trinajstic, N.2
-
27
-
-
0012097239
-
Study of the structure-function relationship of pharmacological and toxicological agents using information theory
-
Avula, X. J. R., Bellman, R., Luke, Y. L., Rigler, A. K., Eds.; University of Missouri - Rolla: Rolla, Missouri
-
Basak, S. C.; Roy, A. B.; Ghosh, J. J. Study of the Structure-Function Relationship of Pharmacological and Toxicological Agents using Information Theory. In Proceedings of the Second InternationalConference on Mathematical Modelling; Avula, X. J. R., Bellman, R., Luke, Y. L., Rigler, A. K., Eds.; University of Missouri - Rolla: Rolla, Missouri, 1980.
-
(1980)
Proceedings of the Second InternationalConference on Mathematical Modelling
-
-
Basak, S.C.1
Roy, A.B.2
Ghosh, J.J.3
-
28
-
-
0003154753
-
Neighborhood complexities and symmetry of chemical graphs and their biological applications
-
Avula, X. J. R., Kalman, R. E., Lapis, A. I., Rodin, E. Y., Eds.; Pergamon Press: New York
-
Roy, A. B.; Basak, S. C.; Harriss, D. K.; Magnuson, V. R. Neighborhood Complexities and Symmetry of Chemical Graphs and Their Biological Applications. In Mathematical Modelling in Science and Technology; Avula, X. J. R., Kalman, R. E., Lapis, A. I., Rodin, E. Y., Eds.; Pergamon Press: New York, 1984.
-
(1984)
Mathematical Modelling in Science and Technology
-
-
Roy, A.B.1
Basak, S.C.2
Harriss, D.K.3
Magnuson, V.R.4
-
29
-
-
84988058305
-
Discrimination of isomeric structures using information theoretic topological indices
-
Raychaudhury, C.; Ray, S. K.; Ghosh, J. J.; Roy, A. B.; Basak, S. C. Discrimination of Isomeric Structures using Information Theoretic Topological Indices. J. Comput. Chem. 1984, 5, 581-588.
-
(1984)
J. Comput. Chem.
, vol.5
, pp. 581-588
-
-
Raychaudhury, C.1
Ray, S.K.2
Ghosh, J.J.3
Roy, A.B.4
Basak, S.C.5
-
30
-
-
0344824414
-
Robust singular value decomposition analysis of microarray data
-
Liu, L.; Hawkins, D. M.; Ghosh, S.; Young, S. S. Robust Singular Value Decomposition Analysis of Microarray Data. Proc. Natl. Acad. Sci. 2003, 100, 13167-13172.
-
(2003)
Proc. Natl. Acad. Sci.
, vol.100
, pp. 13167-13172
-
-
Liu, L.1
Hawkins, D.M.2
Ghosh, S.3
Young, S.S.4
-
31
-
-
0037361983
-
Assessing model fit by crossvalidation
-
Hawkins, D. M.; Basak, S. C.; Mills, D. Assessing Model fit by Crossvalidation. J. Chem. Inf. Comput. Sci. 2003, 43, 579-586.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 579-586
-
-
Hawkins, D.M.1
Basak, S.C.2
Mills, D.3
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