Search Results - "Kubinyi, H."

Drug research: myths, hype and reality by Kubinyi, Hugo

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Strategies and recent technologies in drug discovery by Kubinyi, H

“…In the last years, the paradigms of drug research changed significantly. New technologies were developed, in several different fields. Combinatorial chemistry…”
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QSAR and 3D QSAR in drug design Part 1: methodology by Kubinyi, Hugo

“…Classical QSAR methods describe structure-activity relationships in terms of physicochemical parameters and steric properties (Hansch analysis,…”
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Chemogenomics in drug discovery by Kubinyi, H

“…Chemogenomics is a new strategy in drug discovery which, in principle, searches for all molecules that are capable of interacting with any biological target…”
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Glossary of terms used in computational drug design (IUPAC Recommendations 1997) by van de Waterbeemd, H., Carter, R. E., Grassy, G., Kubinyi, H., Martin, Y. C., Tute, M. S., Willett, P.

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A Scoring Scheme for Discriminating between Drugs and Nondrugs by Sadowski, Jens, Kubinyi, Hugo

“…A scoring scheme for the rapid and automatic classification of molecules into drugs and nondrugs was developed. The method is a valuable new tool that can aid…”
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Evolutionary variable selection in regression and PLS analyses by Kubinyi, Hugo

“…Evolutionary and genetic algorithms are powerful tools for searching global optima of complex functions. An evolutionary approach, the MUSEUM (mutation and…”
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QSAR and 3D QSAR in drug design Part 2: applications and problems by Kubinyi, Hugo

“…QSAR already plays an important role in lead structure optimization and it can be predicted that QSAR methods will become essential for handling the huge…”
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Chemical similarity and biological activities by Kubinyi, Hugo

“…"Similar molecules exert similar biological activities". Since long, medicinal chemists use this concept to modify the structures of biologically active…”
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Chance Favors the Prepared Mind - From Serendipity to Rational Drug Design by Kubinyi, Hugo

“…Abstract Accidental discoveries always played an important role in science, especially in the search for new drugs. Several examples of serendipitous findings,…”
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The design of combinatorial libraries by Kubinyi, Hugo

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Three-Dimensional Quantitative Similarity−Activity Relationships (3D QSiAR) from SEAL Similarity Matrices by Kubinyi, Hugo, Hamprecht, Fred A, Mietzner, Thomas

“…The program SEAL is suited to describe the electrostatic, steric, hydrophobic, and hydrogen bond donor and acceptor similarity of different molecules in a…”
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Quantitative structure-activity relationships. IV. Non-linear dependence of biological activity on hydrophobic character: a new model by Kubinyi, H

“…A new model is derived for the dependence of biological activity on hydrophobic character from a simple hypothetical system. Unlike the parabolic Hansch model…”
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Virtual Discovery Europe--Select Biosciences Conference. Computer-aided drug design and screening by Kubinyi, Hugo

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Lipophilicity and drug activity by Kubinyi, H

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The Evolution of Drugs by Kubinyi, Hugo

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Quantitative structure-activity relationships. VI. Non-linear dependence of biological activity on hydrophobic character: calculation procedures for bilinear model by Kubinyi, H, Kehrhahn, O H

“…The bilinear model, log 1/C = a log P--b log (betaP + 1) + c, is a new model for the qunatitative description of non-linear relationships between hydrophobic…”
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Spectrophotometric analysis of multicomponent systems: the law and the error by Kubinyi, Hugo

“…Spectrophotometric analysis of multicomponent systems using the Beer-Lambert law and the assumption of additivity, even with multiple wavelengths, may fail if…”
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Compatibility of the Free-Wilson and Hansch quantitative structure-activity relations by Schaad, L. J, Hess, B. A, Purcell, W. P, Cammarata, A, Franke, R, Kubinyi, H

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From Narcosis to Hyperspace: The History of QSAR by Kubinyi, Hugo

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