52 results on '"Toropov, Andrey A."'
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2. The validation of predictive potential via the system of self-consistent models: the simulation of blood–brain barrier permeation of organic compounds
3. A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data
4. CORAL: Model of Ecological Impact of Heavy Metals on Soils via the Study of Modification of Concentration of Biomolecules in Earthworms (Eisenia fetida)
5. The system of self-consistent QSPR-models for refractive index of polymers
6. The System of Self-Consistent of Models: A New Approach to Build Up and Validation of Predictive Models of the Octanol/Water Partition Coefficient for Gold Nanoparticles
7. The self-organizing vector of atom-pairs proportions: use to develop models for melting points
8. Can the Monte Carlo method predict the toxicity of binary mixtures?
9. The sequence of amino acids as the basis for the model of biological activity of peptides
10. Geochemical conditions of natural wetland and paddy fields in the Poyang Lake area, China
11. Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers
12. Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity
13. The index of ideality of correlation and the variety of molecular rings as a base to improve model of HIV-1 protease inhibitors activity
14. The using of the Index of Ideality of Correlation (IIC) to improve predictive potential of models of water solubility for pesticides
15. The index of ideality of correlation: models for flammability of binary liquid mixtures
16. QSAR as a random event: criteria of predictive potential for a chance model
17. The Index of Ideality of Correlation: QSAR Model of Acute Toxicity for Zebrafish (Danio rerio) Embryo
18. QSAR Development for Plasma Protein Binding: Influence of the Ionization State
19. Semi-correlations as a tool to build up categorical (active/inactive) model of GABAA receptor modulator activity
20. Quasi-SMILES: quantitative structure–activity relationships to predict anticancer activity
21. Use of the index of ideality of correlation to improve models of eco-toxicity
22. The index of ideality of correlation: hierarchy of Monte Carlo models for glass transition temperatures of polymers
23. Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential
24. Use of quasi-SMILES to model biological activity of “micelle–polymer” samples
25. QSPR analysis of threshold of odor for the large number of heterogenic chemicals
26. QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors
27. Index of Ideality of Correlation: new possibilities to validate QSAR: a case study
28. Prediction of retention characteristics of heterocyclic compounds
29. QSPR models for estimating retention in HPLC with the p solute polarity parameter based on the Monte Carlo method
30. Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase inhibition using SMILES-based descriptors
31. Prediction of the Q-e parameters from structures of transfer chain agents
32. CORAL: model for no observed adverse effect level (NOAEL)
33. QSAR as a random event: a case of NOAEL
34. Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides
35. QSAR models for 1,2,4-benzotriazines as Src inhibitors based on Monte Carlo method
36. Optimal descriptors as a tool to predict the thermal decomposition of polymers
37. QSAR model for cytotoxicity of SiO2 nanoparticles on human lung fibroblasts
38. Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method
39. Optimal descriptor as a translator of eclectic information into the prediction of thermal conductivity of micro-electro-mechanical systems
40. SMILES-based quantitative structure–retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles
41. The definition of the molecular structure for potential anti-malaria agents by the Monte Carlo method
42. QSAR modeling of endpoints for peptides which is based on representation of the molecular structure by a sequence of amino acids
43. SMILES-based optimal descriptors: QSAR modeling of estrogen receptor binding affinity by correlation balance
44. Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles
45. Improved model for fullerene C60 solubility in organic solvents based on quantum-chemical and topological descriptors
46. QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL
47. CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives
48. Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances
49. Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in organic solvents
50. QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants
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