27 results on '"QSPR"'
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2. In Silico Prediction of CNS Bioavailability
3. Artificial Intelligence (AI) Applications in Chemistry
4. Quasi-SMILES-Based QSPR/QSAR Modeling
5. QSPR Models for Prediction of Redox Potentials Using Optimal Descriptors
6. Molecular Descriptors in QSPR/QSAR Modeling
7. An Overview of In Silico Drug Discovery with Emphasis on Cancer
8. Quantitative Structure-Property Relationship (QSPR) Modeling Applications in Formulation Development
9. Carbonaceous Nanomaterials for Environmental Remediation
10. Feature Selection and Polydispersity Characterization for QSPR Modelling: Predicting a Tensile Property
11. QSPR
12. FS4RVDD: A Feature Selection Algorithm for Random Variables with Discrete Distribution
13. Neuro-evolutionary Neural Network for the Estimation of Melting Point of Ionic Liquids
14. Big Data in Structure-Property Studies—From Definitions to Models
15. Towards the Revival of Interpretable QSAR Models
16. The Effects of Vehicle Mixtures on Transdermal Absorption: Thermodynamics, Mechanisms, Assessment, and Prediction
17. Development of Mathematical Model Using Group Contribution Method to Predict Exposure Limit Values in Air for Safeguarding Health
18. Intelligent Systems for Predictive Modelling in Cheminformatics: QSPR Models for Material Design Using Machine Learning and Visual Analytics Tools
19. Using Cheminformatics in Drug Discovery
20. Application of GFA-MLR and G/PLS Techniques in QSAR/QSPR Studies with Application in Medicinal Chemistry and Predictive Toxicology
21. Solving the Structure-Property Problem Using k-NN Classification
22. Polymer Informatics
23. Artificial Neural Network Modeling of the Environmental Fate and Ecotoxicity of Chemicals
24. New Approach to QSPR Modeling of Fullerene C60 Solubility in Organic Solvents: An Application of SMILES-Based Optimal Descriptors
25. Chemodynamics and Multicontaminant Joint Toxicity Modeling of Organic Leachates from Recycled Solid Wastes
26. QSPR Analysis of Boiling Point of Chemical Compounds
27. QSAR/QSPR and Multicomponent Joint Toxic Effect Modeling of Organic Pollutants at Aqueous-Solid Phase Interfaces
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