179 results on '"Golbraikh, Alexander"'
Search Results
2. Dataset Modelability by QSAR: Continuous Response Variable
3. Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
4. Modelability Criteria: Statistical Characteristics Estimating Feasibility to Build Predictive QSAR Models for a Dataset
5. QSAR/QSPR Revisited
6. Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
7. Simple yet accurate prediction method for sublimation enthalpies of organic contaminants using their molecular structure
8. Quantitative structure - property relationship modeling of remote liposome loading of drugs
9. Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
10. A Novel Two-Step Hierarchical Quantitative Structure-Activity Relationship Modeling Work Flow for Predicting Acute Toxicity of Chemicals in Rodents
11. Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening
12. QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds
13. Quantitative Structure–activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining
14. Rational selection of training and test sets for the development of validated QSAR models
15. Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
16. Novel ligands for the human histamine H1 receptor: Synthesis, pharmacology, and comparative molecular field analysis studies of 2-dimethylamino-5-(6)-phenyl-1,2,3,4-tetrahydronaphthalenes
17. Predictive Quantitative Structure–Activity Relationships Modeling
18. Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
19. Conformational analysis of cyclic angiotensin II analogues
20. A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring
21. Value of p ‐Value
22. Beware of q2!
23. Validation of protein-based alignment in 3D quantitative structure–activity relationships with CoMFA models
24. Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models
25. Application of Quantitative Structure–Activity Relationship Models of 5-HT 1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT 1A Ligands
26. Data Set Modelability by QSAR
27. Predictive Quantitative Structure–Activity Relationships Modeling
28. Application of Quantitative Structure–Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands
29. Data Set Modelability by QSAR
30. Integrative Chemical–Biological Read-Across Approach for Chemical Hazard Classification
31. Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening
32. Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?
33. Development of kNN QSAR Models for 3-Arylisoquinoline Antitumor Agents
34. Development, Validation, and Use of Quantitative Structure−Activity Relationship Models of 5-Hydroxytryptamine (2B) Receptor Ligands to Identify Novel Receptor Binders and Putative Valvulopathic Compounds among Common Drugs
35. ChemInform Abstract: Purine Nucleoside Analogues. Part 11. An Alternative Synthesis of N- and O-Alkyl Derivatives of 9- and 7-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine.
36. ChemInform Abstract: Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis.
37. ChemInform Abstract: Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis.
38. Conformational features responsible for the binding of cyclic analogues of enkephalin to opioid receptors III. Probable binding conformations of μ-agonists with phenylalanine in position 3
39. Conformational features responsible for binding of cyclic analogues of enkephalin to opioid receptors
40. ChemInform Abstract: Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F.
41. Combinatorial QSAR Modeling of Specificity and Subtype Selectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F
42. Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening
43. A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models
44. Combinatorial QSAR Modeling of P‐Glycoprotein Substrates.
45. Development of Quantitative Structure−Binding Affinity Relationship Models Based on Novel Geometrical Chemical Descriptors of the Protein−Ligand Interfaces
46. Combinatorial QSAR of Ambergris Fragrance Compounds.
47. Application of Predictive QSAR Models to Database Mining: Identification and Experimental Validation of Novel Anticonvulsant Compounds
48. Predictive QSAR Modeling: Methods and Applications in Drug Discovery andChemical Risk Assessment.
49. Development and Validation of k-Nearest-Neighbor QSPR Models of Metabolic Stability of Drug Candidates
50. QSAR Modeling of α-Campholenic Derivatives with Sandalwood Odor.
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.