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Combining Chemodescriptors and Biodescriptors in Quantitative Structure−Activity Relationship Modeling
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Improved staining of proteins in polyacrylamide gels including isoelectric focusing gels with clear background at nanogram sensitivity using Coomassie Brilliant Blue G‐250 and R‐250
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Flattening and/or expanding of pH gradients in isoelectric focusing gels exemplified with PhastSystem
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Discrimination of isomeric structures using information theoretic topological indices
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Molecular Connectivity in Structure–activity Analysis
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A new approach for devising local graph invariants: Derived topological indices with low degeneracy and good correlation ability
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Toxicology of halogenated aliphatic hydrocarbons: structural and molecular determinants for the disturbance of chromosome segregation and the induction of lipid peroxidation
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Correlation between energetics and toxicities of single-carbon halides
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Similarity study of proteomic maps
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QSAR modeling of oxidative stress in vitro following hepatocyte exposures to halogenated methanes
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Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR Approach
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Assessing Model Fit by Cross-Validation
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Halogenated Aliphatic Toxicity QSARs Employing Metabolite Descriptors
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Characterization of molecular branching
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Importance of nonbonded attraction in the stereochemistry of the SN2' reaction
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Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
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Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, .pi.*, .alpha., and .beta., and some methods for simplifying the generalized solvatochromic equation
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Reaction of triflates with potassium diethyl phosphite. Formation of phosphate esters
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Mathematical Modelling in Science and Technology
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Information theory, distance matrix, and molecular branching
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Molecular Descriptors for Biological Systems
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Characterization of Toxicoproteomics Maps for Chemical Mixtures Using Information Theoretic Approach
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Developing Best Practices for Descriptor‐Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations
inferred← citeshttps://doi.org/10.1002/chin.200616212openalex-snapshot
Combining Chemodescriptors and Biodescriptors in Quantitative Structure—Activity Relationship Modeling.
inferred← citeshttps://doi.org/10.1002/qsar.200610097openalex-snapshot
Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
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Biological Activity and Toxicity: A Conceptual DFT Approach
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Mathematical Chemodescriptors and Biodescriptors: Background and Their Applications in the Prediction of Bioactivity/Toxicity of Chemicals
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Graphical representation and mathematical characterization of protein sequences and applications to viral proteins
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Use of proteomics data and proteomics-based biodescriptors in the estimation of bioactivity/toxicity of chemicals and nanosubstances
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Current Landscape of Hierarchical QSAR Modeling and its Applications: Some Comments on the Importance of Mathematical Descriptors as well as Rigorous Statistical Methods of Model Building and Validation
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Some New Trends in Chemical Graph Theory
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Complex Graph Matrix Representations and Characterizations of Proteomic Maps and Chemically Induced Changes to Proteomes
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Chemometrical Analysis of Proteomics Data
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Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data
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Chemometrical analysis of proteomics data obtained from three cell types treated with multi-walled carbon nanotubes and TiO2 nanobelts$
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Mathematical Nanotoxicoproteomics: Quantitative Characterization of Effects of Multi-walled Carbon Nanotubes (MWCNT) and TiO2 Nanobelts (TiO2-NB) on Protein Expression Patterns in Human Intestinal Cells
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Editor’s Perspective: Molecular Descriptor Landscape in the Twenty First Century and its Proper Use for Computer-Aided Drug Design
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Novel 3D radiochromic dosimeters for advanced radiotherapy techniques
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A Brief Review of Computer-Assisted Approaches to Rational Design of Peptide Vaccines
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Two QSAR Paradigms- Congenericity Principle versus Diversity Begets Diversity Principle- analyzed using computed mathematical chemodescriptors of homogeneous and diverse sets of chemical mutagens
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Use of Graph Invariants in Quantitative Structure-Activity Relationship Studies
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My Tortuous Pathway Through Mathematical Chemistry and QSAR Research With Memories of Some Personal Interactions and Collaborations With Professors Milan Randić and Mircea Diudea
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Applications of proteochemometrics (PCM) : from species extrapolation to cell-line sensitivity modelling
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