Publications
The main scientific output of CDD during the last years was in the form of confidential research reports for industrial customers. Some selected publications are listed below.
Books/book chapters
	R. Franke, K. Thiele und F. Hofmann Physikalisch-chemische Methoden im klinischen Laboratorium Verlag Volk und Gesundheit, Berlin, 1969, 1980 und 1988
	R. Franke und A. Barth Quantitative Struktur-Wirkungs-Beziehungen auf dem Gebiet der Phytoeffektoren In: A. Barth et al. (Hrsgb.), Wirkungsmechanismus von Herbiziden und synthetischen Wachstumsregulatoren, Gustav-Fischer-Verlag, Jena, 1975.
	E. Gäbler, R. Franke und P. Oehme Theoretische Modelle der Protein-Ligand-Bindung Reihe "Beiträge zur Wirkstofforschung", Akademie der Wissenschaften der DDR, Berlin, 1976.
	W.-E. Voigt und R. Franke (Hrsgb.) Standardisierte biologische Testverfahren und QSWA Akademie der Wissenschaften der DDR, Berlin, 1976.
	R. Franke and P. Oehme (Eds.) Quantitative Structure-Activity Analysis Akademie-Verlag, Berlin, 1978.
	R. Franke Optimierungsmethoden in der Wirkstofforschung - quantitative Struktur-Wirkungs-Analyse Akademie-Verlag, Berlin, 1980.
	R. Franke and A. Kramer Quantitative Structure-Activity Analysis of Antimicrobial Agents In: W. Weuffen et al. (Eds.), Handbuch der Antiseptik, Bd. I, Teil 2, Verlag Volk und Gesundheit, Berlin 1981.
	R. Franke Theoretical Drug Design Methods Elsevier, Amsterdam, 1984.
	R. Franke Struktur-Wirkungs-Beziehungen In: W. Scheler, Grundlagen der allgemeinen Pharmakologie, Gustav-Fischer-Verlag, Jena, 1989.
	R. Franke, S. Dove, and A. Gruska Physicochemical Properties and Drug Action: Alternative QSAR Methods In: P. N. Kourounakis and E. Rekka (Eds.), Advanced Drug Design and Development, Ellis Horwood, New York, 1994.
	R. Franke and A. Gruska Principal Component and Factor Analysis. In: H. van de Waterbeemd (Ed.), QSAR: Chemometric Methods in Molecular Design, Vol. 2, Verlag Chemie GmbH: Weinheim; 1995.
	Herrmann, E. C., and Franke, R. (Eds.) Computer Aided Drug Design in Industrial Research Springer-Verlag: Berlin; 1995.
	Ford, M. G., Greenwood, R., Brooks, G. T., and Franke, R. (Eds.) Bioactive Compound Design: Possibilities for Industrial Use Bios Scientific Publishers: Oxford, 1996.
	R. Franke and A. Gruska General Introduction to QSAR. In: R. Benigni (Ed.), Quantitative Structure-Activity Relationship Models of Mutagens & Carcinogens, CRC Press: Boca Raton (FL), 2003.
	R. Benigni, A. Giuliani, A. Gruska, and R. Franke QSARs for the Mutagenicity and Carcinogenicity of the Aromatic Amines. In: R. Benigni (Ed.), Quantitative Structure-Activity Relationship Models of Mutagens & Carcinogens, CRC Press: Boca Raton (FL), 2003.
Some selected research and review papers
In German
	R. Franke Die hydrophobe Wechselwirkung polycyclischer aromatischer Kohlenwasserstoffe mit Humanserumalbumin Biochim. Biophys. Acta 160, 378 (1968).
	R. Franke Homologe Serien im Gleichgewicht zwischen einer wäßrigen und einer hydrophoben Phase     I. Eiweißbindung, Wasserlöslichkeit und Verteilung    II. Hydrophobe Wechselwirkungen und biologische Aktivität Acta biol. med. germ. 25, 757 und 789 (1970).
	R. Franke Typtophan-Carcinogen-Resonanz, hydrophobe Eiweißbindung und chemische Carcino- genese Arch. Geschwulstforsch. 36, 30 (1970).
	R. Franke Zusammenhänge zwischen Elektronenübergangsenergien, carcinogener Aktivität und hydrophober Eiweißbindung polyzyklischer aromatischer Kohlenwasserstoffe Arch. Geschwulstforsch. 37, 45 (1970).
	R. Franke Zur Bestimmung von Eiweißbindungskonstanten für extrem schwerlösliche Verbindungen Acta biol. med. germ. 29, 17 (1972).
	R. Franke und P. Oehme Ermittlung quantitativer Struktur-Wirkungs-Beziehungen bei Biowirkstoffen: theoretische Grundlagen, Voraussetzungen und gegenwärtiger Stand Die Pharmazie 28, 481 (1973).
	R. Franke, E. Gäbler und P. Oehme Quantitative Struktur-Wirkungs-Beziehungen bei biologisch aktiven Sydnonen Acta biol. med. germ. 32, 545 (1974).
	R. Hagemann und R. Franke Statistische Analysen biologischer Testdaten: eine Möglichkeit zur Rationalisierung des Screenings Die Pharmazie 31, 130 (1976).
	R. Hagemann, A. Hagemann, R. Franke und A. Barth Bestimmung von Verteilungskoeffizienten und ihre Beziehung zu tabellierten p-Werten Die Pharmazie 32, 526 (1977).
	R. Kühne, H. Sprinz, R. Franke und G. Hübner NMR-spektroskopische Ermittlung hydrophober Bindungskonstanten Wiss. Beitr. MLU 18(N5), 36 (1977).
	W. Laass, H. Bercher, E. Schult, R. Franke und A. Grisk Quantitative Struktur-Wirkungs-Beziehungen bei Phenylalkylaminen. 1. Diskriminanz- analytische Differenzierung der Wirkung an ß-adrenergen Rezeptoren Die Pharmazie 34, 334 (1979).
	H. Bercher, W. Laass, E. Schult, A. Grisk und R. Franke Quantitative Struktur-Wirkungs-Beziehungen bei Phenylalkylaminen. 1. Diskriminanz- analyse zur a-adrenergen, antiarrhythmischen und kardiodepressiven Wirkung von ß- Rezeptorenblockern Die Pharmazie 34, 336 (1979).
	V. Hagen, E. Morgenstern, E. Göres, R. Franke, W. Sauer und G. Heine Quantitative Struktur-Wirkungs-Beziehungen bei antikonvulsiv wirksamen Benzen- sulfonamiden Die Pharmazie 35, 183 (1980).
In English
	R. Franke The Possible Role of Hydrophobic Interactions of Polycyclic Hydrocarbons with Protein in Chemical Carcinogenesis Mol. Pharmacol. 5, 640 (1969).
	R. Franke Structure-Activity Relationships in Polycyclic Aromatic Hydrocarbons: Induction of Microsomal Aryl HydrocarbonHydroxylase and Its Possible Importance in Chemical Carci- nogenesis Chem.-Biol. Interactions 6, 1 (1973).
	R. Franke, W. Zschiesche, K. Augsten, J. Güttner, and G. Hesse The immunosuppressive action of benzimidazol losts: quantitative structure-activity rela- tionships J. Reticuloendothelial Soc. 16, 87 (1974).
	A. Barth and R. Franke Quantitative Structure-Activity Relationships in Phytotoxic Piperidinoazetanilides Environmental Quality and Safety 3, 78 (1975).
	R. Franke On the Relationship between Biological Activity and Hydrophobicity of Drugs: Transport or Protein Binding? In: M. Tichy (Ed.), Quantitative Structure-Activity Relationships, Akademia Kiado, Budapest, 1976.
	E. Gäbler, R. Franke, and P. Oehme A User's Guide to Protein Binding Models Die Pharmazie 32, 124 (1977).
	R. Franke How does one translate regressor variables into receptor characteristics? Pharmacochem. Library 2, 251 (1977).
	S. Dove and R. Franke Principal Component Analysis of Time-Dependent Antiinflammatory Activity of a Series of Salicylic Acid Derivatives Wiss. Beiträge MLU 18(N5), 24 (1977).
	R. Franke, E. Karanov, and J. Kaneti Structure-Activity Relationships for Herbicidal N1-Aryl-N2 Thioureas C. R. Acad. Bulg. Sci. 32, 1051 (1978).
	M. Tonew, W. Laass, E. Tonew, R. Franke, H. Goldner, and W. Zschiesche Antiviral activity of Dipyridamole Derivatives Acta virol. Engl. Ed. 22, 287 (1978).
	S. Dove, R. Franke, O. L. Mndshojan, W. A. Schkuljew, and L. W. Chashakian Discriminant-Analytical Investigation on the Structural Dependence of Hypoglycamic Activity in a Series of Substituted o-Toluenesulfonylthioureas and o-Toluenesulfonylureas J. Med. Chem. 22, 90 (1979).
	R. Franke On the Interpretability of Quantitative Structure-Activity Relationships Il Farmaco 34, 545 (1979).
	R. Franke Relationships between biological activity and physical chemical properties of drugs and their use in drug design Med. Chemistry 6, 237 (1979).
	R. Franke, S. Dove, and R. Kühne Hydrophobicity and Hydrophobic Interactions. I. On the Physical Nature of Aromatic Hy- drophobic Substituent Constants Eur.J. Med. Chem. 14, 363 (1979).
	R. Franke A heuristic approach to topological pharmacophores Table Rondes Roussel Uclaf 37, 20 (1980).
	G. Krause, W. J. Streich, and R. Franke Informational Content of Discrete Data from Parallel Tests with Similar Biological Ob- jects: Selection of Key Tests Die Pharmazie 35, 488 (1980).
	W. J. Streich, S. Dove, and R. Franke On the Rational Selection of Training Series. I. Principal Component Analysis Combined with Multidimensional Mapping (PCMM Method) J. Med. Chem. 23, 1452 (1980).
	S. Dove, W. J. Streich, and R. Franke On the Rational Selection of Training Series. II. Two-Dimensional Mapping of Intraclass Correlation Matrices (TMIC Method) J. Med. Chem. 23, 1456 (1980).
	R. Kühne, K. Bo_ek, P. Scharfenberg, and R. Franke Hydrophobicity and Hydrophobic Interactions. II: Differentiation of Surface Area Effects on the Transfer of Polar Aliphatic Compounds from the Gas Phase to Oleyl Alcohol and Water and Partition Coefficients in the System Oleyl Alcohol/Water Eur. J. Med. Chem.16, 7 (1981).
	L. J. Schaad, B. A. Hess, W. P. Purcell, A. Cammarata, R. Franke, and H. Kubinyi Compatibility of the Free-Wilson and Hansch Quantitative Structure-Activity Relations J. Med. Chem. 24, 900 (1981).
	R. Franke Some prerequisites and techniques to make QSARs predictive Pharmacochem. Library 4, 355 (1982).
	R. Kühne, R. Franke, J. Dittrich, and E. Kretschmer Relationship between polarographic adsorption data hydrophobicity Quant. Struct.- Act. Relat. 2, 20 (1983).
	R. Franke, R. Kühne, and S. Dove Dependence of Hydrophobicity on Solvens and Structure Pharmacochem. Library 6, 15 (1983).
	G. Krause, M. Klepel, and R. Franke Rational structure optimization of fungicidal 2-anilinopyrimidines Pharmacochem. Library 6, 233 (1983).
	S. Dove, R. Franke, and P. Oehme QSAR in DBH blocking and hypotensive fusaric acid derivatives In: M. Kuchar et al. (Eds.), QSAR in Design of Bioactive Compounds, J. R. Prous Intern. Publishers, Barcelona, 1984, p. 117.
	A. Grisk, H. Bercher, and A. Gruska Selected methods of quantitative structure-activity analysis in the development of ß-adrenergic blocking agents In: J. K. Seydel (Ed.), QSAR and Strategies in the Design of Bioactive Compounds, VCH, Weinheim, 1984, p.337
	R. Franke QSAR parameters. In: J. K. Seydel (Ed.), QSAR and Strategies in the Design of Bioactive Compounds, VCH, Weinheim, 1984, p.59.
	R. Franke, S. Hübel, and W. J. Streich Substructural QSAR approaches and topological pharmacophores Environm. Hlth. Perspectives 61, 239 (1985).
	W. J. Streich and R. Franke Topological Pharmacophores: New Methods and Their Application to a Set of Anti- malarials. 1. The Methods LOGANA and LOCON Quant. Struct.- Act. Relat. 4, 13 (1985).
	R. Franke and W. J. Streich Topological Pharmacophores: New Methods and Their Application to a Set of Anti- malarials. 2. Results from LOGANA Quant. Struct.- Act. Relat. 4, 51 (1985).
	R. Franke and W. J. Streich Topological Pharmacophores: New Methods and Their Application to a Set of Anti- malarials. 3. Results from LOCON Quant. Struct.- Act. Relat. 4, 63 (1985).
	S. Dove, E. A. Coats, P. Scharfenberg, and R. Franke 7-Substituted 4-Hydroxyquinoline-3-carboxylic Acids as Inhibitors of Dehydrogenase Enzymes and of the Respiration of Ehrlich Ascites Tumor Cells: Multivariate Analysis and QSAR for Polar Substituents J. Med. Chem. 28, 447 (1985).
	S. Dove, R. Kühne, and R. Franke On the application of principal component and factor analysis in QSAR work Pharmacochem. Library 8, 277 (1985).
	S. Dove, A. Koch, and R. Franke Comparative QSAR studies in a series of 4-(imidazol-2'-yl)-oxypropanolamines with antihypertensive, vasodilating, and ß-blocking properties Acta Pharm. Jug. 36, 119 (1986).
	W. J. Streich, S. Hübel, and R. Franke The use of mathematical logics in drug design Math. Comput. Modelling 11, 647 (1988).
	S. Dove and R. Franke Some Problems of the Interpretation of Receptorologic Data in QSAR Work Progr. Clin. Biol. Res. 291, 31 (1989).
	A. Koch, R. Kühne, and R. Franke Thiazolidine ring conformation is not connected with the potency of penicillins Die Pharmazie 45, 694 (1990).
	S. Dove and R. Franke Model-based LFER parameters and QSAR of ligand-ß-adrenoreceptor interactions. I. Equilibrium models and parameters of ß-adrenergic effectuation Quant. Struct.-Act. Relat. 10, 16 (1991).
	S. Dove, and R. Franke Model-based LFER parameters and QSAR of ligand ß-adrenoreceptor interactions. II. Estimation and QSAR of agonistic potency and receptor affinity in a series of ß- adrenergic phenethanolamines Quant. Struc.-Act. Relat. 10, 23 (1991).
	S. Hübel, and R. Franke EVAL - a new tool to evaluate two-dimensional pharmacophores Pharmacochemistry Library 16, 37 (1991).
	S. Hübel, and R. Franke. An interactive tool to evaluate two-dimensional pharmacophores Software Developm. Chem. 5, 85 (1991).
	S. Dove, and R. Franke. Activity data decomposition - levels, methods and principles Pharmacochemistry Library 16, 37 (1991).
	R. Franke, and A. Buschauer Quantitative structure-activity relationships in histamine H2-agonists related to impromidine and arpromidine Eur. J. Med. Chem. 27, 443 (1992).
	R. Franke. Comparison of CoMFA and Free-Wilson analysis for a set of muscarinic agonists CDD informations, Basdorf, 1992.
	R. Franke, and A. Buschauer Interaction terms in Free-Wilson analysis. In: Trends in QSAR and Molecular Modeling 92. C. G. Wermuth (Ed.), ESCOM Science Publishers B.V.: Leiden; p. 160 (1993).
	A. Gruska, R. Franke, M. Vogel, D. Herrmann, B. Hegenscheid, and W. Presber, Substructures of CNS pharmaceuticals show additional antiprotozoan action Die Pharmazie 48, 950 (1993).
	R. Franke, A. Gruska, and W. Presber Combined factor and QSAR analysis for antibacterial and pharmacokinetic data from parallel biological tests Die Pharmazie 49, 600 (1994).
	R. Franke, and A. Gruska Decomposition of Time Dependent Response Data by Factor Analysis Quant. Struct.-Act. Relat. 13, 148 (1994).
	A. Barth, K. Frost, M. Wahab, W. Brandt, H. Schädler, and R. Franke Classification of Serine Proteases Derived from a Steric Comparison of their Active Sites. Drug Design Discovery 12, 89 (1994).
	R. Franke, and E. C. Herrmann Computer Aided Drug Design in Industry: Summarized Perspectives. In: R. Franke and E. C. Herrmann (Eds.), Computer Aided Drug Design in Industrial Research, ; Springer-Verlag Berlin; 1995, p. 245.
	R. Franke, V. B. Rose, R. M. Hyde, and A. Gruska The Use of Indicator Variables in QSARs of Chiral Compounds In: F. Sanz et al. (Eds.), QSAR and Molecular Modelling, Prous Science Publishers, Barcelona, 1995, p. 130.
	R. Franke Chemometric Methods in Drug Design. In: M. G. Ford et al. (Eds.), Bioactive Compound Design: Possibilities for Industrial Use, Bios Scientific Publishers, Oxford, 1996, p.89.
	J. Antel, R. Brückner, J. Messinger, U. Schön, R. Franke, and A. Gruska Synthesis, Pharmacological Characterization and QSAR Analysis of 3,7,9,9-Tetraalkyl- Bispidines; Derivatives with Specific Bradycardic Activity J. Med. Chem. 41, 318 (1998).
	A. Benigni, A. Giuliani, R. Franke, and A. Gruska. Quantitative Structure-Activity Relationships of Carcinogenic Aromatic Amines, Chem. Rev. 100, 3697 (2000).
	R. Franke, A. Gruska, A. Giuliani, and R. Benigni Prediction of rodent carcinogenicity of aromatic amines: a quantitative structure-activity relationships model Carcinogenesis 22, 1561 (2001).
	R. Benigni, T. I. Netzeva, E. Benfenati, C. Bossa, R. Franke, C. Helma, E. Hulzebos, C. Marchant, A. Richard, Y.-T. Woo, and C. Yang The Expanding Role of Predictive Toxicology: An Update on the (Q)SAR Models for Mutagens and Carcinogens J. Environ. Sci. Health; Environ. Carcinog. Ecotoxicol. Rev. 25, 53 (2007).
	R. Benigni, A. Worth, T. Netzeva, N. Jeliazkova, C. Bossa, A. Gruska, and R. Franke Structural Motifs Modulating the Carcinogenic Risk of Aromatic Amines Enivironmental and Molecular Mutagenesis 50, 152 (2009).