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Testa B, Folkers G (Eds): ComputerAssisted Lead Finding and Optimization (11th European Symposium on Quantitative Structure-Activity Relationships, Lausanne, Switzerland, 199S)
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Pastor M, Palomer A, Crucian! G, Gago F, Wade RC: Reliability of Comparative Molecular Field Analysis Models: Effects of Data Scaling and Variable Selection Using a Set of Human Synovial Fluid Phospholipase A, Inhibitors. J Med
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Mitchell EP, Johnson LN, Cruciani G, Son JC, Bichard CJF, Fleet GWJ, Oikonomakos NG, Kontou M, Zographos SE: Glucose Analogue Inhibitors of Glycogen Phosphorylase: from Crystallographic Analysis to Drug Prediction Using GRID Force-field and GOLPE Variable Selection. Acta
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Wang S, Tokarski JS, Jin B, Albuquerque M, Madhav PJ, Duraiswami C: Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism. J Am C/te/77 Soc (1997) 119:10509-10524. the Natural Extension to 3D-OSAR: 4D-QSAR. the Fourth Dimension Is not Time, but Ensemble
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DeWitte RS, Ishchenko AV, Shakhnovich El: SMoG: de novo design method based on simple, fast, and accurate free energy estimates. 2. Case studies in molecular design. JAm Chem Soc (1997) 119:4608-4617. The potential of the de novo design method, SMoG, and its application are illustrated by example.
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Ishchenko AV, Shakhnovich El: SMoG: De Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 2. Case Studies in Molecular Design. JAm Chem Soc (1997) 119:4608-4617. the Potential of the De Novo Design Method, SMoG, and Its Application Are Illustrated by
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