ISSN 1062-936X (Print); ISSN 1029-046X (Online)
Publisher: Taylor and Francis Ltd
AI and SAR approaches for predicting chemical carcinogenicity: survey and status report pp. 1-19(19) Authors: Richard, A.M.; Benigni, R.
Modelling mutagenicity using properties calculated by computational chemistry pp. 21-33(13) Authors: Livingstone, D.J.; Greenwood, R.; Rees, R.; Smith, M.D.
An approach to the interpretation of backpropagation neural network models in QSAR studies pp. 35-41(7) Authors: Baskin, I.I.; Ait, A.O.; Halberstam, N.M.; Palyulin, V.A.; Zefirov, N.S.
Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms pp. 43-55(13) Authors: MacDonald, D.; Breton, R.; Sutcliffe, R.; Walker, J.
Probabilistic neural network modeling of the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors pp. 57-67(11) Authors: Kaiser, K.L.E.; Niculescu, S.P.; Schultz, T.W.
An integrated "4-phase" approach for setting endocrine disruption screening priorities--phase I and II predictions of estrogen receptor binding affinity pp. 69-88(20) Authors: Shi‡, L.; Tong, W.; Fang, H.; Xie, Q.; Hong, H.; Perkins, R.; Wu, J.; Tu§, M.; Blair, R.M; Branham, W.S; Waller, C.; Walker, J.; Sheehan, D.M.
Decision support systems for chemical structure representation, reaction modeling, and spectra simulation pp. 89-110(22) Authors: Gasteiger, J.; Bauerschmidt, S.; Burkard, U.; Hemmer, M.C.; Herwig, A.; von Homeyer, A.; Höllering, R.; Kleinöder, T.; Kostka, T.; Schwab, C.; Selzer, P.; Steinhauer, L.
Bayesian analysis and inference from QSAR predictive model results* pp. 111-125(15) Authors: McDowell, R.M.; Jaworska, J.S.
Androgen receptor binding affinity of pesticide "active" formulation ingredients. QSAR evaluation by COREPA method pp. 127-134(8) Authors: Serafimova, R.; Walker, J.; Mekenyan, O.
Membrane-contaminant interaction found by 3D force field calculations pp. 135-143(9) Authors: Govers, H.A.J.; de Voogt, P.; Kwast, O.; Bleeker, E.A.J.
Mechanism based structure-activity relationships for skin sensitisation--the carbonyl group domain pp. 145-152(8) Authors: Roberts, D.W.; Patlewicz, G.
QSAR's based on partial order ranking pp. 153-165(13) Authors: Carlsen, L.; SØrensen, P. B.; Thomsen, M.; Brüggemann, R.
The importance of hydrophobicity and electrophilicity descriptors in mechanistically-based QSARs for toxicological endpoints pp. 167-176(10) Authors: Cronin, M.T.D.; Dearden, J.C.; Duffy, J.C.; Edwards, R.; Manga, N.; Worth, A.P.; Worgan, A.D.P.
Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals pp. 177-184(8) Authors: Dimitrov, S.D.; Mekenyan, O.G.; Walker, J.D.
The components of the "critical quartet" log Kow values assessed by four commercial software packages pp. 185-197(13) Authors: Dearden, J.C.; Bentley, D.
Prediction of biodegradability from structure: imidazoles pp. 199-204(6) Authors: Rorije, E.; Germa, F.; Philipp, B.; Schink, B.; Beimborn, D.B.
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