Drug design quantitative structure-activity

Chemometrics Multivariate View on Chemical Problems Linear Free Energy Relationships (LFER) Partial Least Squares Projections to Latent Structures (PLS) in Chemistry Pharmacophore and Drug Discovery Quantitative Structure-Activity Relationships in Drug Design. 

Hydrogen Bonding 1 Hydrogen Bonding 2 Molecular Surfaces and Solubility Quantitative Structure-Activity Relationships in Drug Design Quantitative Structure-Property Relationships (QSPR). 

Artificial Intelligence in Chemistry Chemical Engineering Expert Systems Chemometrics Multivariate View on Chemical Problems Electrostatic Potentials Chemical Applications Environmental Chemistry QSAR Experimental Data Evaluation and Quality Control Fuzzy Methods in Chemistry Infrared Data Correlations with Chemical Structure Infrared Spectra Interpretation by the Characteristic Frequency Approach Machine Learning Techniques in Chemistry NMR Data Correlation with Chemical Structure Protein Modeling Protein Structure Prediction in ID, 2D, and 3D Quality Control, Data Analysis Quantitative Structure-Activity Relationships in Drug Design Quantitative Structure-Property Relationships (QSPR) Shape Analysis Spectroscopic Databases Structure Determination by Computer-based Spectrum Interpretation. 

Structure-Activity Relationships in Drug Design Quantitative Structure-Property Relationships (QSPR). 

GR Marshall, CD Barry, HE Bosshard, RA Dammkoehler, DA Dunn. The conformational parameter m drug design The active analog approach. ACS Symp Ser 112 205-226, 1979. JL Fauchere, ed. QSAR Quantitative Structure-Activity Relationships m Drug Design. New York Alan R Liss, 1989, pp 177-181. 

H-bonding Parameterization in Quantitative Structure-Activity Relationships and Drug Design... 

I 6 H-bonding Parameterization in Quantitative Structure-Activity Relationships ef Drug Design Tab. 6.4 X-ray data, H-bond parameters and optimum energies and distances for few ideal complexes [48]. 

Classical chemo metric methods, such as the Quantitative Structure Activity Relationships, QSAR, can be used to relate the chemical characteristics of a molecule to its structure. QSAR methods have been widely used in the pharmaceutical field for drug design, but they are also very useful for many other... 

KARMA is an interactive computer assisted drug design tool that incorporates quantitative structure-activity relationships (QSAR), conformational analysis, and three-dimensional graphics. It represents a novel approach to receptor mapping analysis when the x-ray structure of the receptor site is not known, karma utilizes real time interactive three-dimensional color computer graphics combined with numerical computations and symbolic manipulation techniques from the field of artificial intelligence. 

In QSAR Quantitative Structure-Activity Relationships in Drug Design, Faucheee, J.L. (Ed.). Alan Liss Inc., New York, USA, 1989, 173-176. 

---