-
3
-
-
0006473783
-
-
ToxFAQs^TM for Arsenic US Department of Health and Human Services, Public Health Service
-
ToxFAQs^TM for Arsenic (2007) Agency for toxic substances and disease registry (ATSDR) Atlanta, GA: US Department of Health and Human Services, Public Health Service
-
(2007)
Agency for Toxic Substances and Disease Registry (ATSDR) Atlanta, GA
-
-
-
4
-
-
0034974261
-
50 in hamsters and in vitro inhibition of pyruvate dehydrogenase
-
10.1021/tx000264z 11409934 10.1021/tx000264z 1:CAS:528: DC%2BD3MXjvFSlurY%3D
-
50 in hamsters and in vitro inhibition of pyruvate dehydrogenase Chem Res Toxicol 14 651 656 10.1021/tx000264z 11409934 10.1021/tx000264z 1:CAS:528:DC%2BD3MXjvFSlurY%3D
-
(2001)
Chem Res Toxicol
, vol.14
, pp. 651-656
-
-
Petrick, J.S.1
Jagadish, B.2
Mash, E.A.3
Aposhian, H.V.4
-
5
-
-
0003792915
-
-
American Chemical Society Washington
-
Hansch C, Leo A (1995) Exploring QSAR. American Chemical Society, Washington
-
(1995)
Exploring QSAR
-
-
Hansch, C.1
Leo, A.2
-
8
-
-
65549134367
-
Electrophilicity index within a conceptual DFT framework
-
doi:10.1039/b8028232j
-
Chattaraj PK, Giri S (2009) Electrophilicity index within a conceptual DFT framework. Annu Rep Prog Chem Sect C. doi: 10.1039/b8028232j
-
(2009)
Annu Rep Prog Chem Sect C.
-
-
Chattaraj, P.K.1
Giri, S.2
-
9
-
-
54949123011
-
An atom counting QSPR protocol
-
10.1002/qsar.200730109 10.1002/qsar.200730109 1:CAS:528: DC%2BD1cXlt1WgtL0%3D
-
S Giri DR Roy P Bultinck V Subramanian PK Chattaraj 2008 An atom counting QSPR protocol QSAR Comb Sci 27 208 230 10.1002/qsar.200730109 10.1002/qsar.200730109 1:CAS:528:DC%2BD1cXlt1WgtL0%3D
-
(2008)
QSAR Comb Sci
, vol.27
, pp. 208-230
-
-
Giri, S.1
Roy, D.R.2
Bultinck, P.3
Subramanian, V.4
Chattaraj, P.K.5
-
10
-
-
4644291968
-
Electrophilicity index as a possible descriptor of biological activity
-
DOI 10.1016/j.bmc.2004.08.013, PII S0968089604006121
-
R Parthasarathi V Subramanian DR Roy PK Chattaraj 2004 Electrophilicity index as a possible descriptor of biological activity Bioorg Med Chem 12 5533 5543 10.1016/j.bmc.2004.08.013 15465330 10.1016/j.bmc.2004.08.013 1:CAS:528:DC%2BD2cXotF2itLg%3D (Pubitemid 39304053)
-
(2004)
Bioorganic and Medicinal Chemistry
, vol.12
, Issue.21
, pp. 5533-5543
-
-
Parthasarathi, R.1
Subramanian, V.2
Roy, D.R.3
Chattaraj, P.K.4
-
11
-
-
33746266008
-
Analyzing toxicity through electrophilicity
-
DOI 10.1007/s11030-005-9009-x
-
DR Roy U Sarkar PK Chattaraj A Mitra J Padmanabhan R Parthasarathi V Subramanian S Van Damme P Bultinck 2006 Analyzing toxicity through electrophilicity Mol Divers 10 119 131 10.1007/s11030-005-9009-x 16763875 10.1007/s11030-005-9009-x 1:CAS:528:DC%2BD28XntFykt7w%3D (Pubitemid 44092203)
-
(2006)
Molecular Diversity
, vol.10
, Issue.2
, pp. 119-131
-
-
Roy, D.R.1
Sarkar, U.2
Chattaraj, P.K.3
Mitra, A.4
Padmanabhan, J.5
Parthasarathi, R.6
Subramanian, V.7
Van Damme, S.8
Bultinck, P.9
-
12
-
-
33645464931
-
Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols
-
10.1021/tx050322m 16544939 10.1021/tx050322m 1:CAS:528: DC%2BD28Xht1aisr0%3D
-
J Padmanabhan R Parthasarathi V Subramanian PK Chattaraj 2006 Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols Chem Res Toxicol 19 356 364 10.1021/tx050322m 16544939 10.1021/tx050322m 1:CAS:528:DC%2BD28Xht1aisr0%3D
-
(2006)
Chem Res Toxicol
, vol.19
, pp. 356-364
-
-
Padmanabhan, J.1
Parthasarathi, R.2
Subramanian, V.3
Chattaraj, P.K.4
-
13
-
-
36749117171
-
Electronegativity: The density functional viewpoint
-
10.1063/1.436185 10.1063/1.436185 1:CAS:528:DyaE1cXktlSqurc%3D
-
RG Parr RA Donnelly M Levy WE Palke 1978 Electronegativity: the density functional viewpoint J Chem Phys 68 3801 3807 10.1063/1.436185 10.1063/1.436185 1:CAS:528:DyaE1cXktlSqurc%3D
-
(1978)
J Chem Phys
, vol.68
, pp. 3801-3807
-
-
Parr, R.G.1
Donnelly, R.A.2
Levy, M.3
Palke, W.E.4
-
16
-
-
33745756260
-
Electrophilicity index
-
10.1021/cr040109f 16771443 10.1021/cr040109f 1:CAS:528: DC%2BD28XkvVGgtrc%3D
-
PK Chattaraj U Sarkar DR Roy 2006 Electrophilicity index Chem Rev 106 2065 2091 10.1021/cr040109f 16771443 10.1021/cr040109f 1:CAS:528: DC%2BD28XkvVGgtrc%3D
-
(2006)
Chem Rev
, vol.106
, pp. 2065-2091
-
-
Chattaraj, P.K.1
Sarkar, U.2
Roy, D.R.3
-
17
-
-
85010369361
-
Update 1 of: Electrophilicity index
-
10.1021/cr078014b 10.1021/cr078014b 1:CAS:528:DC%2BD1cXhtlSju7%2FP
-
PK Chattaraj DR Roy 2007 Update 1 of: electrophilicity index Chem Rev 107 PR46 PR74 10.1021/cr078014b 10.1021/cr078014b 1:CAS:528:DC%2BD1cXhtlSju7%2FP
-
(2007)
Chem Rev
, vol.107
-
-
Chattaraj, P.K.1
Roy, D.R.2
-
18
-
-
0042534101
-
Density functional approach to the frontier-electron theory of chemical reactivity
-
10.1021/ja00326a036 10.1021/ja00326a036 1:CAS:528:DyaL2cXkt1ynsrc%3D
-
RG Parr WT Yang 1984 Density functional approach to the frontier-electron theory of chemical reactivity J Am Chem Soc 106 4049 4050 10.1021/ja00326a036 10.1021/ja00326a036 1:CAS:528:DyaL2cXkt1ynsrc%3D
-
(1984)
J Am Chem Soc
, vol.106
, pp. 4049-4050
-
-
Parr, R.G.1
Yang, W.T.2
-
19
-
-
0037742281
-
Philicity: A unified treatment of chemical reactivity and selectivity
-
10.1021/jp034707u 10.1021/jp034707u 1:CAS:528:DC%2BD3sXktFSqs7c%3D
-
PK Chattaraj B Maiti U Sarkar 2003 Philicity: a unified treatment of chemical reactivity and selectivity J Phys Chem A 107 4973 4975 10.1021/jp034707u 10.1021/jp034707u 1:CAS:528:DC%2BD3sXktFSqs7c%3D
-
(2003)
J Phys Chem A
, vol.107
, pp. 4973-4975
-
-
Chattaraj, P.K.1
Maiti, B.2
Sarkar, U.3
-
20
-
-
4143079520
-
Intermolecular reactivity through the generalized philicity concept
-
10.1016/j.cplett.2004.07.002 10.1016/j.cplett.2004.07.002 1:CAS:528:DC%2BD2cXmsVWqu7w%3D
-
R Parthasarathi J Padmanabhan M Elango V Subramanian PK Chattaraj 2004 Intermolecular reactivity through the generalized philicity concept Chem Phys Lett 394 225 230 10.1016/j.cplett.2004.07.002 10.1016/j.cplett.2004.07.002 1:CAS:528:DC%2BD2cXmsVWqu7w%3D
-
(2004)
Chem Phys Lett
, vol.394
, pp. 225-230
-
-
Parthasarathi, R.1
Padmanabhan, J.2
Elango, M.3
Subramanian, V.4
Chattaraj, P.K.5
-
21
-
-
36849091566
-
An atom counting and electrophilicity based QSTR approach
-
DOI 10.1007/s12039-007-0061-1
-
PK Chattaraj DR Roy S Giri S Mukherjee R Parthasarathi V Subramanian P Bultinck S Van Damme 2007 An atom counting and electrophilicity based QSTR approach J Chem Sci 119 475 488 10.1007/s12039-007-0061-1 10.1007/s12039-007- 0061-1 1:CAS:528:DC%2BD2sXhsValsLvM (Pubitemid 350220252)
-
(2007)
Journal of Chemical Sciences
, vol.119
, Issue.5
, pp. 475-488
-
-
Chattaraj, P.K.1
Roy, D.R.2
Giri, S.3
Mukherjee, S.4
Subramanian, V.5
Parthasarathi, R.6
Bultinck, P.7
Van Damme, S.8
-
22
-
-
29244469619
-
Toxic arsenic compounds in environmental samples: Speciation and validation
-
DOI 10.1016/j.trac.2005.06.004, PII S0165993605001706
-
M Leermakers W Baeyens M De Gieter B Smedts C Meert C DeBisschop H R Morabito Ph Quevauviller 2006 Toxic arsenic compounds in environmental samples: speciation and validation Trends Analyt Chem 25 1 10 10.1016/j.trac.2005.06.004 10.1016/j.trac.2005.06.004 1:CAS:528:DC%2BD28XlvFyn (Pubitemid 41832487)
-
(2006)
TrAC - Trends in Analytical Chemistry
, vol.25
, Issue.1
, pp. 1-10
-
-
Leermakers, M.1
Baeyens, W.2
De Gieter, M.3
Smedts, B.4
Meert, C.5
De Bisschop, H.C.6
Morabito, R.7
Quevauviller, Ph.8
-
23
-
-
0037036578
-
Arsenic toxicity and potential mechanisms of action
-
DOI 10.1016/S0378-4274(02)00084-X, PII S037842740200084X
-
MF Hughes 2002 Arsenic toxicity and potential mechanisms of action Toxicol Lett 133 1 16 10.1016/S0378-4274(02)00084-X 12076506 10.1016/S0378-4274(02)00084-X 1:CAS:528:DC%2BD38XksFKqsLs%3D (Pubitemid 34655541)
-
(2002)
Toxicology Letters
, vol.133
, Issue.1
, pp. 1-16
-
-
Hughes, M.F.1
-
24
-
-
84987102205
-
On the identification numbers for chemical structures
-
10.1002/qua.560300718 10.1002/qua.560300718
-
K Szymanski WR Müller JV Knop N Trinajstić 1986 On the identification numbers for chemical structures Int J Quantum Chem 30 173 183 10.1002/qua.560300718 10.1002/qua.560300718
-
(1986)
Int J Quantum Chem
, vol.30
, pp. 173-183
-
-
Szymanski, K.1
Müller, W.R.2
Knop, J.V.3
Trinajstić, N.4
-
25
-
-
33845375966
-
The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines
-
10.1021/ja00279a008 10.1021/ja00279a008 1:CAS:528:DyaL28Xltlehtb8%3D
-
W Yang WJ Mortier 1986 The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines J Am Chem Soc 108 5708 5711 10.1021/ja00279a008 10.1021/ja00279a008 1:CAS:528:DyaL28Xltlehtb8%3D
-
(1986)
J Am Chem Soc
, vol.108
, pp. 5708-5711
-
-
Yang, W.1
Mortier, W.J.2
-
26
-
-
70349969721
-
-
Gaussian 03W Revision B.03; Gaussian, Inc., Pittsburgh, PA
-
Gaussian 03W (2003) Revision B.03; Gaussian, Inc., Pittsburgh, PA
-
(2003)
-
-
-
27
-
-
11644266970
-
Electronic population analysis on LCAO-MO molecular wave functions i
-
10.1063/1.1740588 10.1063/1.1740588 1:CAS:528:DyaG28Xnt1Kq
-
RS Mulliken 1955 Electronic population analysis on LCAO-MO molecular wave functions I J Chem Phys 23 1833 1840 10.1063/1.1740588 10.1063/1.1740588 1:CAS:528:DyaG28Xnt1Kq
-
(1955)
J Chem Phys
, vol.23
, pp. 1833-1840
-
-
Mulliken, R.S.1
-
28
-
-
0001553329
-
Bonded-atom fragments for describing molecular charge densities
-
10.1007/BF00549096 10.1007/BF00549096
-
FL Hirschfeld 1977 Bonded-atom fragments for describing molecular charge densities Theor Chim Acta 44 129 138 10.1007/BF00549096 10.1007/BF00549096
-
(1977)
Theor Chim Acta
, vol.44
, pp. 129-138
-
-
Hirschfeld, F.L.1
-
29
-
-
70349961745
-
-
3, Accelrys. Inc., San Diego, CA, USA
-
3, Accelrys. Inc., San Diego, CA, USA
-
-
-
-
30
-
-
34247193113
-
Critical analysis and extension of the Hirshfeld atoms in molecules
-
DOI 10.1063/1.2715563
-
P Bultinck C Van Alsenoy PW Ayers R Carbo'-Dorca 2007 Critical analysis and extension of the Hirshfeld atoms in molecules J Chem Phys 126 144111(1) 144111(9) 10.1063/1.2715563 (Pubitemid 46609992)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.14
, pp. 144111
-
-
Bultinck, P.1
Van Alsenoy, C.2
Ayers, P.W.3
Carbo-Dorca, R.4
-
31
-
-
34547602661
-
Uniqueness and basis set dependence of iterative Hirshfeld charges
-
DOI 10.1016/j.cplett.2007.07.014, PII S000926140700930X
-
P Bultinck PW Ayers S Fias K Tiels C Van Alsenoy 2007 Uniqueness and basis set dependence of iterative Hirshfeld charges Chem Phys Lett 444 205 208 10.1016/j.cplett.2007.07.014 10.1016/j.cplett.2007.07.014 1:CAS:528: DC%2BD2sXovFegtL4%3D (Pubitemid 47198608)
-
(2007)
Chemical Physics Letters
, vol.444
, Issue.1-3
, pp. 205-208
-
-
Bultinck, P.1
Ayers, P.W.2
Fias, S.3
Tiels, K.4
Van Alsenoy, C.5
-
32
-
-
0031877721
-
Use of ion characteristics to predict relative toxicity of mono-, di- and trivalent metal ions: Caenorhabditis elegans LC50
-
DOI 10.1016/S0166-445X(97)00104-5, PII S0166445X97001045
-
50 Aquat Toxicol 42 255 269 10.1016/S0166-445X(97)00104-5 10.1016/S0166-445X(97)00104-5 1:CAS:528: DyaK1cXkt1yit7c%3D (Pubitemid 28383874)
-
(1998)
Aquatic Toxicology
, vol.42
, Issue.4
, pp. 255-269
-
-
Tatara, C.P.1
C. Newman, M.2
McCloskey, J.T.3
Williams, P.L.4
-
33
-
-
0033841975
-
Comparative toxicity of trivalent and pentavalent inorganic and methylated arsenicals in rat and human cells
-
DOI 10.1007/s002040000134
-
M Styblo LM Del Razo L Vega DR Germolec EL LeCluyse GA Hamilton W Reed C Wang WR Cullen DJ Thomas 2000 Comparative toxicity of trivalent and pentavalent inorganic and methylated arsenicals in rat and human cells Arch Toxicol 74 289 299 10.1007/s002040000134 11005674 10.1007/s002040000134 1:CAS:528: DC%2BD3cXnt1Wjtb8%3D (Pubitemid 30660931)
-
(2000)
Archives of Toxicology
, vol.74
, Issue.6
, pp. 289-299
-
-
Styblo, M.1
Del Razo, L.M.2
Vega, L.3
Germolec, D.R.4
LeCluyse, E.L.5
Hamilton, G.A.6
Reed, W.7
Wang, C.8
Cullen, W.R.9
Thomas, D.J.10
-
34
-
-
3242732057
-
Arsenic derivatives as therapeutic agents for hematologic malignancies
-
DOI 10.1016/j.leukres.2004.01.013, PII S0145212604000530
-
Z Verstovsek Z Estrov 2004 Arsenic derivatives as therapeutic agents for hematologic malignancies Leuk Res 28 901 903 10.1016/j.leukres.2004.01.013 15234564 10.1016/j.leukres.2004.01.013 1:CAS:528:DC%2BD2cXlsVarsLk%3D (Pubitemid 38953642)
-
(2004)
Leukemia Research
, vol.28
, Issue.9
, pp. 901-903
-
-
Verstovsek, S.1
Estrov, Z.2
|