1,456 results on '"Roy, Kunal"'
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2. Enhanced Catalytic Reduction and Electrochemical Sensing Properties of Magnetic Fe3O4@benzothiazole-Cu(II) Nanoparticles
3. Chemometric modeling of pharmaceuticals for partitioning between sludge and aqueous phase during the wastewater treatment process
4. Read-Across and Quantitative Structure–Activity Relationships (QSAR) for Making Predictions and Data Gap-Filling
5. Chemical Information and Molecular Similarity
6. Tools, Applications, and Case Studies (q-RA and q-RASAR)
7. Quantitative Read-Across (q-RA) and Quantitative Read-Across Structure–Activity Relationships (q-RASAR)—Genesis and Model Development
8. AI and ML for small molecule drug discovery in the big data era II
9. Future Prospects
10. The application of chemical similarity measures in an unconventional modeling framework c-RASAR along with dimensionality reduction techniques to a representative hepatotoxicity dataset
11. Protein-protein interaction network analysis for the identification of novel multi-target inhibitors and target miRNAs against Alzheimer’s disease
12. Recent advancements in QSAR and machine learning approaches for risk assessment of organic chemicals
13. List of contributors
14. List of contributors
15. Two-dimensional nanostructured materials for electrochemical and photoelectrochemical green hydrogen generation application
16. Safer and greener chemicals for the aquatic ecosystem: Chemometric modeling of the prolonged and chronic aquatic toxicity of chemicals on Oryzias latipes
17. Dedicated orthopaedic elective unit: our experience from a district general hospital
18. Predictive cheminformatics modeling of reorganization energy (RE) for p-type organic semiconductors: Integration of quantitative read-across structure-property relationship (q-RASPR) and stacking regression analysis
19. First report on regression-based QSAR addressing pesticide dissipation half-life in plants: A step towards sustainable public health
20. Machine learning-based q-RASAR predictions of the bioconcentration factor of organic molecules estimated following the organisation for economic co-operation and development guideline 305
21. Quantitative read-across structure-activity relationship (q-RASAR): A novel approach to estimate the subchronic oral safety (NOAEL) of diverse organic chemicals in rats
22. Computational modeling of PET imaging agents for vesicular acetylcholine transporter (VAChT) protein binding affinity: application of 2D-QSAR modeling and molecular docking techniques
23. Read-Across and RASAR Tools from the DTC Laboratory
24. Chronic aquatic toxicity assessment of diverse chemicals on Daphnia magna using QSAR and chemical read-across
25. Machine learning-based q-RASAR approach for the in silico identification of novel multi-target inhibitors against Alzheimer's disease
26. Image-Based Potato Phoma Blight Severity Analysis Through Deep Learning
27. Exploring quantitative structure–property relationship models for environmental fate assessment of petroleum hydrocarbons
28. Electrochemical investigation of silk G/MoS2/PDOT: PSS synthesized using supercritical fluid approach
29. Development of a read-across-derived classification model for the predictions of mutagenicity data and its comparison with traditional QSAR models and expert systems
30. Quantitative Read-across structure-activity relationship (q-RASAR): A new approach methodology to model aquatic toxicity of organic pesticides against different fish species
31. Rapid single pot synthesis of hierarchical Bi2WO6 microspheres/RGO nanocomposite and its application in energy storage: A supercritical water approach
32. Machine learning - based q-RASAR modeling to predict acute contact toxicity of binary organic pesticide mixtures in honey bees
33. “Data fusion” quantitative read-across structure-activity-activity relationships (q-RASAARs) for the prediction of toxicities of binary and ternary antibiotic mixtures toward three bacterial species
34. Preface
35. Contributors
36. First report on soil ecotoxicity prediction against Folsomia candida using intelligent consensus predictions and chemical read-across
37. First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability
38. Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selection
39. Machine-learning-based similarity meets traditional QSAR: “q-RASAR” for the enhancement of the external predictivity and detection of prediction confidence outliers in an hERG toxicity dataset
40. QSAR modeling of chronic rat toxicity of diverse organic chemicals
41. Security Protocols for Blockchain-Based Access Control in VANETS
42. One-Pot Solvothermal Synthesis of Spinel MgFe2O4 Nanoparticles as a Promising Cathode Material for Rechargeable Mg-ion Battery
43. Are we ready to combat the ecotoxicity of COVID-19 pharmaceuticals? An in silico aquatic risk assessment
44. Multi-target QSAR modeling for the identification of novel inhibitors against Alzheimer's disease
45. Study on the DC supply and charging effect on the growth of carbon nanotubes and their electrochemical properties
46. The Round Robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential
47. Driving factors for developing integrated farming: Multi-criteria decision-making analysis
48. Recent Advances on Modelling the Toxicity of Environmental Pollutants for Risk Assessment: from Single Pollutants to Mixtures
49. Prediction reliability of QSAR models: an overview of various validation tools
50. Supercritical fluid synthesized Cu2ZnSnS4-Polyaniline nanocomposites for supercapacitor application
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