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The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors

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inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)63:1<215::aid-qua22>3.0.co;2-9openalex-snapshot
Hierarchical orthogonalization of descriptors
inferred← citeshttps://doi.org/10.1002/9783527613106.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/cem.1094openalex-snapshot
Modeling based on subspace orthogonal projections for QSAR and QSPR research
inferred← citeshttps://doi.org/10.1002/cmdc.200600186openalex-snapshot
Prediction of Tyrosinase Inhibition Activity Using Atom‐Based Bilinear Indices
inferred← citeshttps://doi.org/10.1002/jcc.20730openalex-snapshot
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems
inferred← citeshttps://doi.org/10.1002/jps.20862openalex-snapshot
Implementing Molecular Connectivity Theory, a Basic Tool in Modeling Drugs
inferred← citeshttps://doi.org/10.1002/jps.21747openalex-snapshot
QSPR modelling with the topological substructural molecular design approach: β-cyclodextrin complexation
inferred← citeshttps://doi.org/10.1002/qsar.200610156openalex-snapshot
Atom‐Based 2D Quadratic Indices in Drug Discovery of Novel Tyrosinase Inhibitors: Results of In Silico Studies Supported by Experimental Results
inferred← citeshttps://doi.org/10.1002/qsar.200860060openalex-snapshot
Theoretical Prediction of Antiproliferative Activity against Murine Leukemia Tumor Cell Line (L1210). 3D‐Morse Descriptor and its Application in Computational Chemistry
inferred← citeshttps://doi.org/10.1002/qua.10591openalex-snapshot
Synergistic interactions among QSAR descriptors
inferred← citeshttps://doi.org/10.1007/0-306-46907-3_6openalex-snapshot
On Characterization of 3D Molecular Structure
inferred← citeshttps://doi.org/10.1007/978-1-4615-4141-7_44openalex-snapshot
Multivariate Regression Excels Neural Networks, Genetic Algorithm and Partial Least-Squaresin Qsar Modeling
inferred← citeshttps://doi.org/10.1007/s00894-005-0088-5openalex-snapshot
A radial-distribution-function approach for predicting rodent carcinogenicity
inferred← citeshttps://doi.org/10.1007/s10822-006-9094-7openalex-snapshot
Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors
inferred← citeshttps://doi.org/10.1007/s10910-018-0951-0openalex-snapshot
Mathematical chemistry illustrations: a personal view of less known results
inferred← citeshttps://doi.org/10.1007/s11030-015-9617-zopenalex-snapshot
Topological sub-structural molecular design (TOPS-MODE): a useful tool to explore key fragments of human $$\mathbf{A}_{3}$$ A 3 adenosine receptor ligands
inferred← citeshttps://doi.org/10.1007/s11538-006-9127-3openalex-snapshot
QSAR Studies Using Radial Distribution Function for Predicting A1 Adenosine Receptors Agonists
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.08.038openalex-snapshot
In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS–MODE approach
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.10.063openalex-snapshot
A radial distribution function approach to predict A2B agonist effect of adenosine analogues
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.05.081openalex-snapshot
QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.10.067openalex-snapshot
TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: Evaluation of different classification model combinations using bond-based linear indices
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.02.032openalex-snapshot
2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.11.026openalex-snapshot
New QSAR combined strategy for the design of A1 adenosine receptor agonists
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.03.070openalex-snapshot
Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.11.040openalex-snapshot
Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
inferred← citeshttps://doi.org/10.1016/j.ejmech.2005.04.014openalex-snapshot
GETAWAY descriptors to predicting A2A adenosine receptors agonists
inferred← citeshttps://doi.org/10.1016/j.ejmech.2005.08.004openalex-snapshot
Radial distribution function descriptors: an alternative for predicting A2 A adenosine receptors agonists
inferred← citeshttps://doi.org/10.1016/j.ejmech.2007.01.026openalex-snapshot
Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays
inferred← citeshttps://doi.org/10.1016/j.ejmech.2007.10.020openalex-snapshot
Radial Distribution Function descriptors for predicting affinity for vitamin D receptor
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.12.030openalex-snapshot
Topological sub-structural molecular design approach: Radical scavenging activity
inferred← citeshttps://doi.org/10.1016/j.jfluchem.2003.09.003openalex-snapshot
Alternative statistical and theoretical analysis of fluorophilicity
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.01.002openalex-snapshot
Automatic extraction of structural alerts for predicting chromosome aberrations of organic compounds
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.05.006openalex-snapshot
Quantitative structure–activity relationship studies for the prediction of antifungal activity of N-arylbenzenesulfonamides against Botrytis cinerea
inferred← citeshttps://doi.org/10.1016/j.polymer.2004.01.022openalex-snapshot
TOPS-MODE approach to predict mutagenicity in dental monomers
inferred← citeshttps://doi.org/10.1016/j.tox.2009.11.023openalex-snapshot
A topological substructural molecular design approach for predicting mutagenesis end-points of α , β -unsaturated carbonyl compounds
inferred← citeshttps://doi.org/10.1016/s0097-8485(99)00059-5openalex-snapshot
A comparative QSAR study of benzamidines complement–inhibitory activity and benzene derivatives acute toxicity
inferred← citeshttps://doi.org/10.1016/s0166-1280(96)04871-3openalex-snapshot
Inhibition of the Hill reaction by 2-methylthio-4,6-bis (monoalkylamino)-1,3,5-triazines A QSAR study
inferred← citeshttps://doi.org/10.1021/ci000001aopenalex-snapshot
Quantitative Structure−Activity Relationship of Flavonoid Analogues. 3. Inhibition of p56lck Protein Tyrosine Kinase
inferred← citeshttps://doi.org/10.1021/ci000106dopenalex-snapshot
Retro-RegressionAnother Important Multivariate Regression Improvement
inferred← citeshttps://doi.org/10.1021/ci000119ropenalex-snapshot
The Variable Connectivity Index 1χf versus the Traditional Molecular Descriptors: A Comparative Study of 1χf Against Descriptors of CODESSA
inferred← citeshttps://doi.org/10.1021/ci000155qopenalex-snapshot
QSAR Study of 1,8-Naphthyridin-4-ones As Inhibitors of Photosystem II
inferred← citeshttps://doi.org/10.1021/ci00028a013openalex-snapshot
Structure-Activity Correlation of Flavone Derivatives for Inhibition of cAMP Phosphodiesterase
inferred← citeshttps://doi.org/10.1021/ci0100402openalex-snapshot
Combination of 2D-, 3D-Connectivity and Quantum Chemical Descriptors in QSPR. Complexation of α- and β-Cyclodextrin with Benzene Derivatives
inferred← citeshttps://doi.org/10.1021/ci020283+openalex-snapshot
Orthogonalization of Block Variables by Subspace-Projection for Quantitative Structure Property Relationship (QSPR) Research
inferred← citeshttps://doi.org/10.1021/ci030425fopenalex-snapshot
Wiener−Hosoya Index A Novel Graph Theoretical Molecular Descriptor
inferred← citeshttps://doi.org/10.1021/ci050085topenalex-snapshot
Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps
inferred← citeshttps://doi.org/10.1021/ci600274fopenalex-snapshot
An Integrated in Silico Analysis of Drug-Binding to Human Serum Albumin
inferred← citeshttps://doi.org/10.1021/ci950183mopenalex-snapshot
Link between Orthogonal and Standard Multiple Linear Regression Models
inferred← citeshttps://doi.org/10.1021/ci950270eopenalex-snapshot
2-Difluoromethylthio-4,6-bis(monoalkylamino)-1,3,5-triazines as Inhibitors of Hill Reaction: A QSAR Study with Orthogonalized Descriptors
inferred← citeshttps://doi.org/10.1021/ci9600216openalex-snapshot
Orthosimilarity
inferred← citeshttps://doi.org/10.1021/ci960023qopenalex-snapshot
A Theorem about the Algebraic Structure underlying Orthogonal Graph Invariants
inferred← citeshttps://doi.org/10.1021/ci960158wopenalex-snapshot
The Use of the Ordered Orthogonalized Multivariate Linear Regression in a Structure−Activity Study of Coumarin and Flavonoid Derivatives as Inhibitors of Aldose Reductase
inferred← citeshttps://doi.org/10.1021/ci960174topenalex-snapshot
On Characterization of Chemical Structure
inferred← citeshttps://doi.org/10.1021/ci9800763openalex-snapshot
Optimal Molecular Descriptors Based on Weighted Path Numbers
inferred← citeshttps://doi.org/10.1021/ci980090fopenalex-snapshot
Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling
inferred← citeshttps://doi.org/10.1021/ci980161aopenalex-snapshot
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors
inferred← citeshttps://doi.org/10.1021/ci990064xopenalex-snapshot
Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure
inferred← citeshttps://doi.org/10.1021/ci990115qopenalex-snapshot
Construction of High-Quality Structure−Property−Activity Regressions: The Boiling Points of Sulfides
inferred← citeshttps://doi.org/10.1021/ci990129wopenalex-snapshot
Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure−Retention Relationship Models for Alkylphenols in Gas−Liquid Chromatography
inferred← citeshttps://doi.org/10.1021/jf0704211openalex-snapshot
Quantitative Structure−Antifungal Activity Relationships of Some Benzohydrazides against Botrytis cinerea
inferred← citeshttps://doi.org/10.1021/jf8033978openalex-snapshot
Synthesis and Quantitative Structure−Antifungal Activity Relationships of Clovane Derivatives against Botrytis cinerea
inferred← citeshttps://doi.org/10.1080/10629360108035362openalex-snapshot
Quantitative Structure-Retention Relationships for Gas Chromatographic Retention Indices of Alkylbenzenes with Molecular Graph Descriptors
inferred← citeshttps://doi.org/10.1080/10629360290002776openalex-snapshot
Structure-water solubility modeling of aliphatic alcohols using the weighted path numbers
inferred← citeshttps://doi.org/10.1080/10629369708039124openalex-snapshot
New Developments in QSPR/QSAR Modeling Based on Topological Indices
inferred← citeshttps://doi.org/10.1080/10629369808039152openalex-snapshot
Modeling the Aqueous Solubility of Aliphatic Alcohols
inferred← citeshttps://doi.org/10.1201/b13111-15openalex-snapshot
References
inferred← citeshttps://doi.org/10.1201/b21418-3openalex-snapshot
Statistical Space for Multivariate Correlations
inferred← citeshttps://doi.org/10.1201/b21418-4openalex-snapshot
Chemical Orthogonal Spaces for Structure–Activity Relationship (COS-SAR)
inferred← citeshttps://doi.org/10.2174/138161210792389243openalex-snapshot
Structural Contributions of Substrates to their Binding to P-Glycoprotein. A TOPSMODE Approach
inferred← citeshttps://doi.org/10.2174/978160805379711201010194openalex-snapshot
Overview of QSAR Modelling in Rational Drug Design
inferred← citeshttps://doi.org/10.3390/80900687openalex-snapshot
Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds
inferred← citeshttps://doi.org/10.3390/ecsoc-9-01664openalex-snapshot
A Novel Approach for Computer-Aided “Rational” Drug Design: Theoretical and Experimental Assessment of a Promising Method for Virtual Screening and in silico Design of New Antimalarial Compounds
inferred← citeshttps://doi.org/10.3390/i8050363openalex-snapshot
Introducing Spectral Structure Activity Relationship (S-SAR) Analysis. Application to Ecotoxicology
inferred← citeshttps://doi.org/10.5562/cca3171openalex-snapshot
Autobiographical Notes
inferred← citeshttps://doi.org/10.5772/51657openalex-snapshot
Spectral-Structure Activity Relationship (Spectral-SAR) Assessment of Ionic Liquids’ in Silico Ecotoxicity
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