242 results on '"Jurs, P. C."'
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2. Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networks
3. Chemical Applications of Graph Theory: Part I. Fundamentals and Topological Indices.
4. Chemical Applications of Graph Theory: Part II. Isomer Enumeration.
5. Prediction of Physicochemical Properties of Organic Compounds from Molecular Structure
6. Analysis of chemical signals in a primate species (Saguinus fuscicollis): Use of behavioral, chemical, and pattern recognition methods
7. A Computer System for Structure-Activity Studies Using Chemical Structure Information Handling and Pattern Recognition Techniques
8. Studies of Chemical Structure-Biological Activity Relations Using Pattern Recognition
9. ChemInform Abstract: Computer-Assisted Prediction of Normal Boiling Points of Pyrans and Pyrroles.
10. ChemInform Abstract: 13C NMR Spectrum Simulation
11. ChemInform Abstract: Prediction of Boiling Points of Organic Heterocyclic Compounds Using Regression and Neural Network Techniques
12. ChemInform Abstract: Prediction of Aqueous Solubility of Organic Compounds
13. ChemInform Abstract: 13C Nuclear Magnetic Resonance Spectrum Simulation
14. ChemInform Abstract: Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure.
15. ChemInform Abstract: Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure.
16. ChemInform Abstract: Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure.
17. ChemInform Abstract: Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure.
18. ChemInform Abstract: Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure.
19. ChemInform Abstract: Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure.
20. Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors.
21. Development of Binary Classification of Structural Chromosome Aberrations for a Diverse Set of Organic Compounds from Molecular Structure
22. Prediction of Glycine/NMDA Receptor Antagonist Inhibition from Molecular Structure
23. Linear Regression and Computational Neural Network Prediction of Tetrahymena Acute Toxicity for Aromatic Compounds from Molecular Structure
24. ChemInform Abstract: Computational Methods for the Analysis of Chemical Sensor Array Data from Volatile Analytes
25. Computational Methods for the Analysis of Chemical Sensor Array Data from Volatile Analytes
26. ChemInform Abstract: Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model.
27. Prediction of IC50 Values for ACAT Inhibitors from Molecular Structure
28. Prediction of the Normal Boiling Points of Organic Compounds from Molecular Structures with a Computational Neural Network Model
29. Prediction of Acute Mammalian Toxicity of Organophosphorus Pesticide Compounds from Molecular Structure
30. Book reviews
31. ChemInform Abstract: Computer‐Assisted Study of the Relationship Between Molecular Structure and Surface Tension of Organic Compounds.
32. Prediction of gas chromatographic relative retention times of stimulants and narcotics
33. ChemInform Abstract: Computer‐Assisted Prediction of Normal Boiling Points of Furans, Tetrahydrofurans, and Thiophenes.
34. Prediction of gas and liquid chromatographic retention indexes of polyhalogenated biphenyls
35. ChemInform Abstract: Cluster Analysis of Acrylates to Guide Sampling for Toxicity Testing.
36. Photographic Method of Pulse Height Analysis
37. Chance classifications by non-parametric linear discriminant functions.
38. Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance
39. Probabilistic Neural Network Multiple Classifier System for Predicting the Genotoxicity of Quinolone and Quinoline Derivatives
40. Determining the Validity of a QSAR Model − A Classification Approach
41. Predicting the Genotoxicity of Polycyclic Aromatic Compounds from Molecular Structure with Different Classifiers
42. Predicting the Genotoxicity of Thiophene Derivatives from Molecular Structure
43. QSAR and Classification of Murine and Human Soluble Epoxide Hydrolase Inhibition by Urea-Like Compounds
44. QSAR/QSPR Studies Using Probabilistic Neural Networks and Generalized Regression Neural Networks
45. Prediction of Glass Transition Temperatures from Monomer and Repeat Unit Structure Using Computational Neural Networks
46. Development of Quantitative Structure−Activity Relationship and Classification Models for a Set of Carbonic Anhydrase Inhibitors
47. QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2 Inhibitors Using Topologically-Based Numerical Descriptors
48. QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5α-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD
49. Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds from Molecular Structure
50. Prediction of C<INF>60</INF> Solubilities from Solvent Molecular Structures
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