DEVELOPMENT...      {
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Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs. J. Chem. Inf. Comput. Sci.; (Article); 2003; 43(4); 1177-1185\"\n\nchang, cristalli, depreux, doherty, garrat2, garrat, heyl, krystek, lewis, penning, rosowsky, siddiqi, stevenson, strupcz, svensson, thompson, tsutumi, uejling, yokoyama1, yokoyama2\t\n\"David E Patterson, Richard D Cramer, Allan M Ferguson, Robert D Clark, Laurence W Weinberger. Neighbourhood Behaviour: A Useful Concept for Validation of \"\"Molecular Diversity\"\" Descriptors. J. Med. Chem. 1996 (39) 3049 - 3059.\"\n\nmtp\n\"Karthikeyan, M.; Glen, R.C.; Bender, A. General melting point prediction based on a diverse compound dataset and artificial neural networks. J. Chem. Inf. Model.; 2005; 45(3); 581-590\"\n\nbenzo32\n\"Harrison,P.W. and Barlin,G.B. and Davies,L.P. and Ireland,S.J. and Matyus,P. and Wong,M.G., Syntheses, pharmacological evaluation and molecular modelling of substituted 6-alkoxyimidazo[1,2-b]pyridazines as new ligands for the benzodiazepine receptor, European Journal of Medicinal Chemistry, (31), 1996, 651-662\"\n\nPHENETYL1\t\n\"H. Kubinyi (Ed.): \"\"QSAR: Hansch Analysis and Related Approaches\"\", VCH, Weinhein (Ger), 1993, pp.57-68\"\n\npah\t\n\"Todeschini, R.; Gramatica, P.; Marengo, E.; Provenzani, R. Weighted Holistic  Invariant Molecular Descriptors. Part 2. Theory Development and Applications on Modeling Physico-Chemical Properties of PolyAromatic Hydrocarbons (PAH). Chemom. Intell. Lab. Syst. 1995, 27, 221-229.\"\n\npdgfr\t\n\"R. Guha and P. Jurs. The Development of Linear, Ensemble and Non-linear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors. J. Chem. Inf. Comput. Sci. 2004, 44 (6), 2179-2189\"\n\nPhen\t\n\"Cammarata, A. Interrelationship of the Regression Models Used for Structure-Activity Analyses. J. Med. Chem. 1972, 15, 573-577\"\n\ntopo_2_1, yprop_4_1\t\n\"Jun Feng et al, Predictive Toxicology: Benchmarking Molecular Descriptors and Statistical Methods, J. Chem. Inf Comput. Sci., 2003 (43) 1463-1470\"\n\nqsabr1, qsabr2\t\n\"Damborsky, J., Schultz, T.W., Comparison of the QSAR models for toxicity and biodegradability of anilines and phenols, Chemosphere 34: 429-446, 1997\"\n\nqsartox\t\n\"Blaha, L., Damborsky, J., Nemec, M., QSAR for acute toxicity of saturated and unsaturated halogenated aliphatic compounds, Chemosphere 36: 1345-1365, 1998\"\n\nqsbr_rw1\t\n\"Damborsky, J. et al., Structure-biodegradability relationships for chlorinated dibenzo-p-dioxins and dibenzofurans, In: Wittich, R.-M., Biodegradation of dioxins and furans, R.G. Landes Company, Austin, 1998\"\n\nqsbr_y2\t\n\"Damborsky, J. et al., A mechanistic approach to deriving QSBR- A case study: dehalogenation of haloaliphatic compounds, In: Peijnenburg, W.J.G.M., Damborsky, J., Biodegradability Prediction, Kluwer Academic Publishers\"\n\nqsbralks\t\n\"Damborsky, J. et al., Mechanism-based Quantitative Structure-Biodegradability Relationships for hydrolytic dehalogenation of chloro- and bromo-alkenes, Quantitative Structure-Activity Relationships 17: 450-458, 1998\"\n\nqsfrdhla\t\n\"Damborsky, J., Quantitative structure-function relationships of the single-point mutants of haloalkane dehalogenase: A multivariate approach, Qunatitative Structure-Activity Relationships 16: 126-135, 1997\"\n\nqsfsr1\t\n\"Damborsky, J., Quantitative structure-function and structure-stability relationships of purposely modified proteins, Protein Engineering 11: 21-30, 1998\"\n\nqsfsr2\t\n\"Damborsky, J., Quantitative structure-function and structure-stability relationships of purposely modified proteins, Protein Engineering 11: 21-30, 1998\"\n\nqsprcmpx\t\n\"Cajan, M. et al., Stability of Aromatic Amides with Bromide Anion: Quantitative Structure-Property Relationships, Journal of Chemical Information and Computer Sciences, in press, 2000\"\n\nselwood\t\n\"Selwood, D. L.; Livingstone, D. J.; Comley, J. C.; O'Dowd, A. B.; Hudson, A. T.; Jackson, P.; Jandu, K. S.; Rose, V. S.; Stables, J. N. Structure-Activity Relationships of Antifilarial Antimycin Analogues: A Multivariate Pattern Recognition Study J. Med. Chem., 1990, 33, 136-142\"",
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    "date": "2023-01-11 17:45:23",
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