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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/9783527615452.ch5openalex-snapshot
Statistical Validation of QSAR Results
inferredcites →https://doi.org/10.1002/etc.5620120706openalex-snapshot
EXTERNAL VALIDATION OF A QSAR FOR THE ACUTE TOXICITY OF HALOGENATED ALIPHATIC HYDROCARBONS
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
inferredcites →https://doi.org/10.1002/qsar.200390007openalex-snapshot
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
inferredcites →https://doi.org/10.1002/qsar.200610151openalex-snapshot
Principles of QSAR models validation: internal and external
inferredcites →https://doi.org/10.1016/j.jmgm.2004.03.003openalex-snapshot
Generation of QSAR sets with a self-organizing map
inferredcites →https://doi.org/10.1016/j.jmgm.2005.03.003openalex-snapshot
Assessing the reliability of a QSAR model's predictions
inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferredcites →https://doi.org/10.1021/ci000066dopenalex-snapshot
QSAR Models Using a Large Diverse Set of Estrogens
inferredcites →https://doi.org/10.1021/ci0155053openalex-snapshot
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies
inferredcites →https://doi.org/10.1021/ci049923uopenalex-snapshot
Validated QSAR Prediction of OH Tropospheric Degradation of VOCs: Splitting into Training−Test Sets and Consensus Modeling
inferredcites →https://doi.org/10.1021/ci800253uopenalex-snapshot
External Validation and Prediction Employing the Predictive Squared Correlation Coefficient — Test Set Activity Mean vs Training Set Activity Mean
inferredcites →https://doi.org/10.1023/a:1025386326946openalex-snapshot
Rational selection of training and test sets for the development of validated QSAR models
inferredcites →https://doi.org/10.1023/b:modi.0000047503.82461.e8openalex-snapshot
Impact of different software implementations on the performance of the Maxmin method for diverse subset selection
inferredcites →https://doi.org/10.1080/01621459.1983.10477973openalex-snapshot
Estimating the Error Rate of a Prediction Rule: Improvement on Cross-Validation
inferredcites →https://doi.org/10.1080/01621459.1987.10478410openalex-snapshot
Better Bootstrap Confidence Intervals
inferredcites →https://doi.org/10.1787/9789264085442-enopenalex-snapshot
Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Pharmacophore, Qsar, Molecular Docking, Molecular Dynamics and Admet Study of Trisubstituted Benzimidazoles Derivatives as Potent Anti-Tubercular Agents
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Machine Learning for the Optimization of Chemical Reaction Conditions
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Quantitative structure–property relationship models to predict thermodynamic properties of some mono and polycyclic aromatic hydrocarbons using genetic algorithm‐multiple linear regression
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Comparison between genetic algorithm‐multiple linear regression and back‐propagation‐artificial neural network methods for predicting the LD50 of organo (phosphate and thiophosphate) compounds
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Structure–property relationships of aliphatic esters using topological descriptors and backward ‐ multiple linear regression method
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Fluorinated benzoxazinones designed via MIA‐QSAR , docking and molecular dynamics as protoporphyrinogen IX oxidase inhibitors
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CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
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Automated QSAR with a Hierarchy of Global and Local Models
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QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae
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Structure‐Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms
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Physicochemical vs. Vibrational Descriptors for Prediction of Odor Receptor Responses
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A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship
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Development of Simple QSPR Models for the Prediction of the Heat of Decomposition of Organic Peroxides
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On the Misleading Use of for QSAR Model Comparison
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Modeling the Solubility of C70 Fullerenes in Diverse Solvents: Role of Quantum‐mechanical Descriptors
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An Approach to Identify New Insecticides Against Myzus Persicae. In silico Study Based on Linear and Non‐linear Regression Techniques
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New QSPR Models to Predict the Flammability of Binary Liquid Mixtures
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QSAR Analysis of a Series of Hydantoin‐based Androgen Receptor Modulators and Corresponding Binding Affinities
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Acute Rat and Mouse Oral Toxicity Determination of Anticholinesterase Inhibitor Carbamate Pesticides: A QSTR Approach
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Does the Index of Ideality of Correlation Detect the Better Model Correctly?
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Prediction of the Partition Coefficient between Adipose Tissue and Blood for Environmental Chemicals: From Single QSAR Models to an Integrated Approach
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Chemoinformatics for the Safety of Energetic and Reactive Materials at Ineris
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The Relevance of Goodness‐of‐fit, Robustness and Prediction Validation Categories of OECD‐QSAR Principles with Respect to Sample Size and Model Type
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A comparison between 2D and 3D descriptors in QSAR modeling based on bio‐active conformations
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Gas‐to‐ionic liquid partition: QSPR modeling and mechanistic interpretation
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Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids
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Prediction of the self‐accelerating decomposition temperature of organic peroxides
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Modeling of properties of amino acids with random, semirandom, and molecular connectivity descriptors
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Topological indices and QSPR modeling of some novel drugs used in the cancer treatment
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QSPR models to predict quantum chemical properties of imidazole derivatives using genetic algorithm–multiple linear regression and back‐propagation–artificial neural network
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Comparative QSAR modeling of 2‐phenylindol derivatives for predicting the anticancer activity using genetic algorithm multiple linear regression and back‐propagation‐artificial neural network techniques
inferred← citeshttps://doi.org/10.1002/qua.27234openalex-snapshot
Topological indices and QSPR analysis of some chemical structures applied for the treatment of heart patients
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QSPR study to predict some of quantum chemical properties of anticancer imidazo[4,5‐b]pyridine derivatives using genetic algorithm multiple linear regression and molecular descriptors
inferred← citeshttps://doi.org/10.1002/qua.27260openalex-snapshot
QSPR analysis to predict some quantum chemical properties of 2‐phenylindol derivatives as anticancer drugs using molecular descriptor and genetic algorithm multiple linear regression
inferred← citeshttps://doi.org/10.1002/qua.27334openalex-snapshot
Comparative study of GQ and QG indices as potentially favorable molecular descriptors
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Spectrum‐Based Topological Indices and Their QSPR Studies of Nonsteroidal Anti‐Inflammatory Drugs
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Computational Studies of Novel Aniline Pyrimidine WDR5‐MLL1 Inhibitors: QSAR, Molecular Docking, and Molecular Dynamics Simulation
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Design and Development of New Generation ALK Inhibitors Driven by Structure–Activity Relationship Studies of 2,4‐Diarylaminopyrimidine Derivatives
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From Structure to Activity: Exploration of QSAR Modelling to Predict Antibacterial Activity Against Pseudomonas aeruginosa
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QSAR Modeling, Molecular Docking, Molecular Dynamics Simulation and ADMET Study of Novel β ‐Carboline Derivatives as Potent Anti‐lung Cancer Agents
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Machine learning methods in chemoinformatics
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A simple method for assessing the psychotomimetic activity of the substituted phenethylamines
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Ligand Design for Asymmetric Catalysis: Combining Mechanistic and Chemoinformatics Approaches
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Recent Advances in Computational Modeling of Multi-targeting Inhibitors as Anti-Alzheimer Agents
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A Round Trip from Medicinal Chemistry to Predictive Toxicology
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Quasi-SMILES-Based QSPR/QSAR Modeling
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Introduction to Cheminformatics for Predictive Modeling
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Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
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inferred← citeshttps://doi.org/10.1007/s00044-017-2069-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00894-016-3156-0openalex-snapshot
Acute aquatic toxicity of organic solvents modeled by QSARs
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New QSPR model for prediction of corrosion inhibition using conceptual density functional theory
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Estimation of influential points in any data set from coefficient of determination and its leave-one-out cross-validated counterpart
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Proteochemometric model for predicting the inhibition of penicillin-binding proteins
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3d electron cloud descriptors for enhanced QSAR modeling of anti-colorectal cancer compounds
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On topological indices of Molnupiravir and its QSPR modelling with some other antiviral drugs to treat COVID-19 patients
inferred← citeshttps://doi.org/10.1007/s10973-019-08774-9openalex-snapshot
Prediction of the auto-ignition temperature of binary liquid mixtures based on the quantitative structure–property relationship approach
inferred← citeshttps://doi.org/10.1007/s10973-021-10846-8openalex-snapshot
Simple method to assess autoignition temperature of organic ether compounds with high reliability for process safety
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A novel approach for prediction of exothermic decomposition temperature of energetic complexes through additive and non-additive descriptors
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inferred← citeshttps://doi.org/10.1007/s11030-010-9268-zopenalex-snapshot
Oral LD50 toxicity modeling and prediction of per- and polyfluorinated chemicals on rat and mouse
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Computational predictive models for P-glycoprotein inhibition of in-house chalcone derivatives and drug-bank compounds
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Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity
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Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies
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inferred← citeshttps://doi.org/10.1007/s11051-017-3883-xopenalex-snapshot
Dispersibility of carbon nanotubes in organic solvents: do we really have predictive models?
inferred← citeshttps://doi.org/10.1007/s11095-015-1720-4openalex-snapshot
Modeling and Prediction of Solvent Effect on Human Skin Permeability using Support Vector Regression and Random Forest
inferred← citeshttps://doi.org/10.1007/s11119-019-09699-xopenalex-snapshot
Leaf Area Index evaluation in vineyards using 3D point clouds from UAV imagery
inferred← citeshttps://doi.org/10.1007/s11224-014-0474-7openalex-snapshot
Correlations of limiting oxygen index with structural polyphosphoester features by QSPR approaches
inferred← citeshttps://doi.org/10.1007/s11224-017-1028-6openalex-snapshot
Exploring in house glutamate inhibitors of matrix metalloproteinase-2 through validated robust chemico-biological quantitative approaches
inferred← citeshttps://doi.org/10.1007/s11224-019-01361-6openalex-snapshot
QSAR as a random event: criteria of predictive potential for a chance model
inferred← citeshttps://doi.org/10.1007/s11224-020-01568-yopenalex-snapshot
QSAR modeling of toxicities of ionic liquids toward Staphylococcus aureus using SMILES and graph invariants
inferred← citeshttps://doi.org/10.1007/s11224-022-02029-4openalex-snapshot
Investigation of [3H]diazepam derivatives as allosteric modulators of GABAA receptor α1β2γ2 subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysis
inferred← citeshttps://doi.org/10.1007/s11224-024-02411-4openalex-snapshot
Contributions to the development of prediction models for the toxicity of ionic liquids
inferred← citeshttps://doi.org/10.1007/s11227-025-06967-8openalex-snapshot
Modeling QSPR for pyelonephritis drugs: a topological indices approach using MATLAB
inferred← citeshttps://doi.org/10.1007/s11306-019-1520-7openalex-snapshot
Untargeted LC–MS metabolomic studies of Asteraceae species to discover inhibitors of Leishmania major dihydroorotate dehydrogenase
inferred← citeshttps://doi.org/10.1007/s11356-014-2626-0openalex-snapshot
Structure–activity analysis of harmful algae inhibition by congeneric compounds: case studies of fatty acids and thiazolidinediones
inferred← citeshttps://doi.org/10.1007/s11356-014-3182-3openalex-snapshot
Comparative performance of descriptors in a multiple linear and Kriging models: a case study on the acute toxicity of organic chemicals to algae
inferred← citeshttps://doi.org/10.1007/s11356-015-4526-3openalex-snapshot
Nonlinear QSAR modeling for predicting cytotoxicity of ionic liquids in leukemia rat cell line: an aid to green chemicals designing
inferred← citeshttps://doi.org/10.1007/s11356-015-4965-xopenalex-snapshot
Modeling the binding affinity of structurally diverse industrial chemicals to carbon using the artificial intelligence approaches
inferred← citeshttps://doi.org/10.1007/s11356-019-04662-9openalex-snapshot
Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids
inferred← citeshttps://doi.org/10.1007/s11356-019-05482-7openalex-snapshot
Inhibition effect of natural flavonoids on red tide alga Phaeocystis globosa and its quantitative structure-activity relationship
inferred← citeshttps://doi.org/10.1007/s11696-018-0480-0openalex-snapshot
Synthesis, characterization, biological activity, and QSAR studies of transition metal complexes derived from piperonylamine Schiff bases
inferred← citeshttps://doi.org/10.1007/s11696-019-00903-wopenalex-snapshot
The index of ideality of correlation: models for flammability of binary liquid mixtures
inferred← citeshttps://doi.org/10.1007/s11696-021-01600-3openalex-snapshot
In silico prediction of GLP-1R agonists using machine learning approach
inferred← citeshttps://doi.org/10.1007/s11696-025-04404-xopenalex-snapshot
Topological and statistical regression study of chemical structures using graph-theoretic descriptors: applications to cancer therapeutics
inferred← citeshttps://doi.org/10.1007/s12161-017-1031-yopenalex-snapshot
Rice Grain Freshness Measurement Using Rapid Visco Analyzer and Chemometrics
inferred← citeshttps://doi.org/10.1007/s12161-020-01797-1openalex-snapshot
Development of Colorimetric Sensor Array for Instant Determination of Sodium Metabisulfite in Dried Longan
inferred← citeshttps://doi.org/10.1007/s12668-024-01710-8openalex-snapshot
A Deep Dive into Machine Learning: The Roles of Neural Networks and Random Forests in QSPR Analysis
inferred← citeshttps://doi.org/10.1007/s13738-019-01835-8openalex-snapshot
Molecular docking and 4D-QSAR model of methanone derivatives by electron conformational-genetic algorithm method
inferred← citeshttps://doi.org/10.1007/s40003-024-00805-8openalex-snapshot
Molecular Modeling Study and Proposition of Novel Diaryl Ether Derivatives as Protoporphyrinogen Oxidase Inhibitors
inferred← citeshttps://doi.org/10.1007/s40199-023-00480-0openalex-snapshot
Identifying natural products for gastric cancer treatment through pharmacophore creation, 3D QSAR, virtual screening, and molecular dynamics studies
inferred← citeshttps://doi.org/10.1007/s40203-021-00087-wopenalex-snapshot
In silico local QSAR modeling of bioconcentration factor of organophosphate pesticides
inferred← citeshttps://doi.org/10.1007/s40203-024-00266-5openalex-snapshot
First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studies
inferred← citeshttps://doi.org/10.1007/s40203-024-00278-1openalex-snapshot
Investigating the effect of 1,2-Dibenzoylhydrazine on Staphylococcus aureus using integrated computational approaches
inferred← citeshttps://doi.org/10.1007/s40203-026-00663-yopenalex-snapshot
On neighborhood degree sum-based indices of Nirmatrelvir and its QSPR investigation with some other COVID-19 drugs
inferred← citeshttps://doi.org/10.1007/s40819-025-01917-7openalex-snapshot
Degree-Based Coindices of Molnupiravir and Its QSPR Analysis With Other COVID-19 Drugs
inferred← citeshttps://doi.org/10.1007/s40819-025-01986-8openalex-snapshot
Energy-Based Indices and their QSPR Studies of Certain Drugs Used for Kidney Cancer
inferred← citeshttps://doi.org/10.1007/s41742-021-00346-wopenalex-snapshot
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
inferred← citeshttps://doi.org/10.1007/s42161-024-01823-9openalex-snapshot
Exploring the antibacterial potential of 1,3,4-oxadiazoles against Xanthomonas axonopodis pv. citri in citrus species through molecular modeling
inferred← citeshttps://doi.org/10.1007/s44371-025-00290-0openalex-snapshot
Python-based QSAR modeling protocol for antioxidant activity: a case-study using a library of di(hetero)cyclic amines or amides
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.14703-1openalex-snapshot
Chemometrics for QSAR Modeling
inferred← citeshttps://doi.org/10.1016/b978-0-12-820472-6.00208-5openalex-snapshot
Computational Medicinal Chemistry to Target GPCRs
inferred← citeshttps://doi.org/10.1016/b978-0-443-36474-7.00008-9openalex-snapshot
Simulation of physicochemical and biochemical behavior of nanoparticles under various experimental conditions
inferred← citeshttps://doi.org/10.1016/b978-0-443-40453-5.00011-3openalex-snapshot
Different approaches for predicting the properties of polymers
inferred← citeshttps://doi.org/10.1016/b978-1-68108-053-6.50007-7openalex-snapshot
Marine Algal Toxicity Models with Dunaliella tertiolecta: In Vivo and In Silico
inferred← citeshttps://doi.org/10.1016/j.aca.2011.07.004openalex-snapshot
Experimental determination and prediction of bilitranslocase transport activity
inferred← citeshttps://doi.org/10.1016/j.aca.2012.11.002openalex-snapshot
Assessment of applicability domain for multivariate counter-propagation artificial neural network predictive models by minimum Euclidean distance space analysis: A case study
inferred← citeshttps://doi.org/10.1016/j.ailsci.2021.100013openalex-snapshot
BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees
inferred← citeshttps://doi.org/10.1016/j.aquatox.2021.105962openalex-snapshot
Identification of concealed structural alerts using QSTR modeling for Pseudokirchneriella subcapitata
inferred← citeshttps://doi.org/10.1016/j.aquatox.2024.107216openalex-snapshot
Intelligent consensus-based predictions of early life stage toxicity in fish tested in compliance with OECD Test Guideline 210
inferred← citeshttps://doi.org/10.1016/j.arabjc.2016.10.003openalex-snapshot
An approach to identify new antihypertensive agents using Thermolysin as model: In silico study based on QSARINS and docking
inferred← citeshttps://doi.org/10.1016/j.atmosenv.2013.05.068openalex-snapshot
Improved 3D-QSPR analysis of the predictive octanol–air partition coefficients of hydroxylated and methoxylated polybrominated diphenyl ethers
inferred← citeshttps://doi.org/10.1016/j.atmosenv.2017.08.022openalex-snapshot
A chemometric investigation of aromatic emission profiles from a marine engine in comparison with residential wood combustion and road traffic: Implications for source apportionment inside and outside sulphur emission control areas
inferred← citeshttps://doi.org/10.1016/j.bioorg.2024.107598openalex-snapshot
Synthesis, biological evaluation, theoretical calculations, QSAR and molecular docking studies of novel arylaminonaphthols as potent antioxidants and BChE inhibitors
inferred← citeshttps://doi.org/10.1016/j.biosystems.2019.04.008openalex-snapshot
“Ideal correlations” for biological activity of peptides
inferred← citeshttps://doi.org/10.1016/j.bmc.2011.02.035openalex-snapshot
4D-QSAR analysis and pharmacophore modeling: Electron conformational-genetic algorithm approach for penicillins
inferred← citeshttps://doi.org/10.1016/j.bmc.2017.02.020openalex-snapshot
Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy
inferred← citeshttps://doi.org/10.1016/j.cbi.2025.111714openalex-snapshot
Modeling skin sensitization: hierarchical support vector regression−based prediction of lysine depletion in DPRA
inferred← citeshttps://doi.org/10.1016/j.ces.2013.09.018openalex-snapshot
Modeling adsorption of organic compounds on activated carbon using ETA indices
inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.10.010openalex-snapshot
Genetic Algorithms for architecture optimisation of Counter-Propagation Artificial Neural Networks
inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.03.011openalex-snapshot
Further exploring r metrics for validation of QSPR models
inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.04.013openalex-snapshot
Quantitative structure–activity relationship analysis of a novel series of chemicals antagonizing WT and MT AR
inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.08.007openalex-snapshot
Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection
inferred← citeshttps://doi.org/10.1016/j.chemolab.2013.07.008openalex-snapshot
Uninformative variable elimination assisted by Gram–Schmidt Orthogonalization/successive projection algorithm for descriptor selection in QSAR
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.01.011openalex-snapshot
Reshaped Sequential Replacement algorithm: An efficient approach to variable selection
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.04.005openalex-snapshot
Replacement based non-linear data reduction in radial basis function networks QSAR modeling
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.05.010openalex-snapshot
A novel variable reduction method adapted from space-filling designs
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.10.005openalex-snapshot
In silico prediction of cellular permeability of diverse chemicals using qualitative and quantitative SAR modeling approaches
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.06.001openalex-snapshot
Quantitative structure–property relationship study of β-cyclodextrin complexation free energies of organic compounds
inferred← citeshttps://doi.org/10.1016/j.chemolab.2015.06.007openalex-snapshot
Classification of estrogen receptor selective compounds with benzopyranskeleton using counterpropagation artificial neural networks optimised by genetic algorithms
inferred← citeshttps://doi.org/10.1016/j.chemolab.2016.01.007openalex-snapshot
Type (I, II) errors variable selection in quantitative structure activity relationships
inferred← citeshttps://doi.org/10.1016/j.chemolab.2016.01.008openalex-snapshot
Be aware of error measures. Further studies on validation of predictive QSAR models
inferred← citeshttps://doi.org/10.1016/j.chemolab.2016.06.020openalex-snapshot
Hologram QSAR study on the electrophoretic mobility of aromatic acids
inferred← citeshttps://doi.org/10.1016/j.chemolab.2017.01.010openalex-snapshot
How important is to detect systematic error in predictions and understand statistical applicability domain of QSAR models?
inferred← citeshttps://doi.org/10.1016/j.chemolab.2018.04.015openalex-snapshot
Automatic outlier sample detection based on regression analysis and repeated ensemble learning
inferred← citeshttps://doi.org/10.1016/j.chemolab.2020.104106openalex-snapshot
Effect of variable allocation on validation and optimality parameters and on cross-optimization perspectives
inferred← citeshttps://doi.org/10.1016/j.chemolab.2020.104172openalex-snapshot
Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study
inferred← citeshttps://doi.org/10.1016/j.chemolab.2021.104313openalex-snapshot
A MATLAB toolbox for multivariate regression coupled with variable selection
inferred← citeshttps://doi.org/10.1016/j.chemolab.2022.104500openalex-snapshot
The development of nano-QSPR models for viscosity of nanofluids using the index of ideality of correlation and the correlation intensity index
inferred← citeshttps://doi.org/10.1016/j.chemolab.2022.104510openalex-snapshot
Application of the LAD-LASSO as a dimensional reduction technique in the ANN-based QSAR study: Discovery of potent inhibitors using molecular docking simulation
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2012.05.081openalex-snapshot
Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2012.07.010openalex-snapshot
Chemometric model for predicting retention indices of constituents of essential oils
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2013.09.093openalex-snapshot
Externally predictive quantitative modeling of supercooled liquid vapor pressure of polychlorinated-naphthalenes through electron-correlation based quantum–mechanical descriptors
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2014.08.072openalex-snapshot
Single-descriptor based quantum-chemical QSPRs for physico-chemical properties of polychlorinated-dibenzo-p-dioxins and -dibenzo-furans (PCDD/Fs): Exploring the role of electron-correlation
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