References
- Sadowski , J. and Gasteiger , J. 1993 . From atoms and bonds to three-dimensional atomic coordinates: automatic model builders . Chem. Rev. , 93 : 2567 – 2581 .
- Gordeeva , E. V. , Katritzky , A. , Shcherbukhin , V. V. and Zefirov , N. S. 1993 . Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program . J. Chem. Inf. Comput. Sci. , 33 : 102 – 111 .
- Topliss , J. G. and Edwards , R. P. 1979 . Chance factor in studies of quantitative structure-activity relationships . J. Med. Chem. , 22 : 1238 – 1244 .
- Eliel , E. L. 1993 . “ Chemistry in three-dimensions ” . In Chemical Structures , Edited by: Warr , W. A. Berlin : Springer .
- Mekenyan , O. G. , Ivanov , J. M. , Veith , G. D. and Bradbury , S. P. 1994 . DYNAMIC QSAR: a methodology for investigating structure-activity relationships . Quant. Struct.-Act. Relat. , 13 : 302 – 307 .
- Mekenyan , O. G. , Karabunarliev , S. H. , Ivanov , J. M. and Dimitrov , D. N. 1994 . A new development of the OASIS computer system for modeling molecular properties . Comput. Chem. , 18 : 173 – 187 .
- Ivanov , J. M. , Karabunarliev , S. H. and Mekenyan , O. G. 1994 . 3DGEN: an algorithm for exhaustive generation of 3-D isomers proceeding from molecular topology . J. Chem. Inf. Comput. Sci. , 34 : 234 – 243 .
- Klopman , G. 1974 . “ Chemical reactivity and reaction paths: general introduction ” . In Chemical Reactivity , Edited by: Klopman , G. 1 – 12 . New York : John Wiley & Sons .
- Klopman , G. and Hudson , R. F. 1967 . Polyelectronic perturbation treatment of chemical reactivity . Theor. Chim. Acta , 20 : 165 – 171 .
- Klopman , G. 1974 . “ The generalized perturbation theory of chemical reactivity and its applications ” . In Chemical Reactivity and Reaction Paths , Edited by: Klopman , G. 55 – 166 . New York : John Wiley & Sons .
- Schuurmann , G. 1990 . QSAR analysis of the acute fish toxicity of organic phosphorothionates using theoretical derived molecular descriptors . Environ. Toxicol. Chem. , 9 : 417 – 428 .
- Mekenyan , O. G. and Veith , G. D. 1994 . The electronic factor in QSAR: MO-parameters, competing interactions, reactivity and toxicity . SAR QSAR Environ. Res. , 2 : 129 – 143 .
- Mekenyan , O. , Veith , G. , Bradbury , S. and Russom , C. 1993 . A QSAR approach to estimating the toxicity of unsaturated alcohols to the fathead minnow (Pimephales promelas) . Quant. Struct.-Act. Relat. , 12 : 132 – 136 .
- Mekenyan , O. G. and Veith , G. D. 1993 . Relationships between descriptors for hydrophobicity and soft electrophilicity in predicting toxicity . SAR QSAR Environ. Res. , 1 : 335 – 344 .
- Veith , G. D. and Mekenyan , O. G. 1993 . A QSAR approach for estimating the aquatic toxicity of soft electrophiles [QSAR for soft electrophiles] . Quant. Struct.-Act. Relat. , 12 : 349 – 356 .
- Mekenyan , O. G. , Ankley , G. T. , Veith , G. V. and Call , D. J. 1994 . QSARs for photo-induced toxicity: acute lethality of polycyclic aromatic hydrocarbons to Daphnia magna . Chemosphere , 28 : 567 – 582 .
- Mekenyan , O. , Ankley , G. , Veith , G. and Call , D. 1994 . Dynamic QSAR for the binding of aromatic xenobiotics to the aryl hydrocarbon receptor. I. Modeling enzyme affinity of the structurally flexible polychlorinated bipenyls . Environ. Health Perspec. , (in press)
- Safe , S. 1990 . Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs), and related compounds: environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs) . Crit. Rev. Toxicol. , 21 : 51 – 88 . and references cited therein