On the public citation graph
Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow)
0 signed · 182 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/1521-3838(200210)21:4<348::aid-qsar348>3.0.co;2-dopenalex-snapshot
From Narcosis to Hyperspace: The History of QSAR
inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot
Handbook of Molecular Descriptors
inferredcites →https://doi.org/10.1002/cem.1180060506openalex-snapshot
Genetic algorithms as a strategy for feature selection
inferredcites →https://doi.org/10.1002/etc.5620140524openalex-snapshot
A COMPARISON OF STANDARD ACUTE TOXICITY TESTS WITH RAPID-SCREENING TOXICITY TESTS
inferredcites →https://doi.org/10.1002/etc.5620160514openalex-snapshot
Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow ( Pimephales promelas )
inferredcites →https://doi.org/10.1002/qsar.19930120402openalex-snapshot
A QSAR Approach for Estimating the Aquatic Toxicity of Soft Electrophiles [QSAR for Soft Electrophiles]
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.200390036openalex-snapshot
Substructure versus Whole‐molecule Approaches for Calculating Log P
inferredcites →https://doi.org/10.1016/0045-6535(95)00111-kopenalex-snapshot
Quantitative structure-toxicity relationships for 80 chlorinated compounds using quantum chemical descriptors
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/s0045-6535(03)00609-xopenalex-snapshot
Predicting logP of pesticides using different software
inferredcites →https://doi.org/10.1016/s0166-1280(02)00621-8openalex-snapshot
Applications of QSARs in toxicology: a US Government perspective
inferredcites →https://doi.org/10.1016/s0169-7439(97)00030-0openalex-snapshot
Kohonen and counterpropagation artificial neural networks in analytical chemistry
inferredcites →https://doi.org/10.1016/s0169-7439(98)00124-5openalex-snapshot
The K correlation index: theory development and its application in chemometrics
inferredcites →https://doi.org/10.1080/10629369408028842openalex-snapshot
Predicting Modes of Toxic Action from Chemical Structure: An Overview
inferredcites →https://doi.org/10.1080/10629369508234003openalex-snapshot
U.S. EPA Regulatory Perspectives on the Use of QSAR for New and Existing Chemical Evaluations
inferredcites →https://doi.org/10.1289/ehp.5758openalex-snapshot
Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.
inferredcites →https://doi.org/10.1289/ehp.9087207openalex-snapshot
Rules for Distinguishing Toxicants That Cause Type I and Type II Narcosis Syndromes
inferredcites →https://doi.org/10.1590/s0103-50532002000600005openalex-snapshot
Prediction of environmental toxicity and fate using quantitative structure-activity relationships (QSARs)
inferredcites →https://doi.org/10.1897/01-234openalex-snapshot
Overview of data and conceptual approaches for derivation of quantitative structure-activity relationships for ecotoxicological effects of organic chemicals
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc002.pub2openalex-snapshot
Recent Advances in Development, Validation, and Exploitation of QSAR Models
inferred← citeshttps://doi.org/10.1002/0471266949.bmc002.pub3openalex-snapshot
Recent Advances in Development, Validation, and Exploitation of QSAR Models
inferred← citeshttps://doi.org/10.1002/9780470567623.ch5openalex-snapshot
Prediction of Toxic Effects of Pharmaceutical Agents
inferred← citeshttps://doi.org/10.1002/9781118856017.ch1openalex-snapshot
Testing Nanotoxicity: An Update of New and Traditional Methods
inferred← citeshttps://doi.org/10.1002/9781119681397.ch7openalex-snapshot
Machine Learning Approaches in Computational Toxicology Studies
inferred← citeshttps://doi.org/10.1002/9783527645121.ch1openalex-snapshot
Current Modeling Methods Used in QSAR/QSPR
inferred← citeshttps://doi.org/10.1002/cem.3007openalex-snapshot
Application of SAR methods toward inhibition of bacterial peptidoglycan metabolizing enzymes
inferred← citeshttps://doi.org/10.1002/cem.3530openalex-snapshot
The difference of model robustness assessment using cross‐validation and bootstrap methods
inferred← citeshttps://doi.org/10.1002/cem.70014openalex-snapshot
Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview
inferred← citeshttps://doi.org/10.1002/cjoc.200790138openalex-snapshot
Quantitative Structure Property Relations (QSPR) for Predicting Molar Diamagnetic Susceptibilities, χm, of Inorganic Compounds
inferred← citeshttps://doi.org/10.1002/etc.1782openalex-snapshot
First toxicity data of chlorophenols on marine alga Dunaliella tertiolecta: Correlation of marine algal toxicity with hydrophobicity and interspecies toxicity relationships
inferred← citeshttps://doi.org/10.1002/jcc.21571openalex-snapshot
Structure‐based quantitative structure‐activity relationship studies of checkpoint kinase 1 inhibitors
inferred← citeshttps://doi.org/10.1002/jcc.23576openalex-snapshot
QSARINS‐chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS
inferred← citeshttps://doi.org/10.1002/jcc.26551openalex-snapshot
QSARINS ‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity
inferred← citeshttps://doi.org/10.1002/minf.200900005openalex-snapshot
Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals
inferred← citeshttps://doi.org/10.1002/minf.201000104openalex-snapshot
Consensus QSAR Related to Global or MOA Models: Application to Acute Toxicity for Fish
inferred← citeshttps://doi.org/10.1002/minf.201000133openalex-snapshot
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
inferred← citeshttps://doi.org/10.1002/minf.201200075openalex-snapshot
QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae
inferred← citeshttps://doi.org/10.1002/minf.201980831openalex-snapshot
Celebrating 40 Years of Career
inferred← citeshttps://doi.org/10.1002/minf.202200072openalex-snapshot
The Relevance of Goodness‐of‐fit, Robustness and Prediction Validation Categories of OECD‐QSAR Principles with Respect to Sample Size and Model Type
inferred← citeshttps://doi.org/10.1002/open.201600120openalex-snapshot
Chiral Brønsted Acid‐Catalyzed Enantioselective α‐Amidoalkylation Reactions: A Joint Experimental and Predictive Study
inferred← citeshttps://doi.org/10.1002/qsar.200610151openalex-snapshot
Principles of QSAR models validation: internal and external
inferred← citeshttps://doi.org/10.1002/qsar.200710096openalex-snapshot
Quantitative Structure–Activity Relationship Study on Fish Toxicity of Substituted Benzenes
inferred← citeshttps://doi.org/10.1002/qsar.200710099openalex-snapshot
Review of (Quantitative) Structure–Activity Relationships for Acute Aquatic Toxicity
inferred← citeshttps://doi.org/10.1002/qsar.200860027openalex-snapshot
Study of Nematic Transition Temperatures in Themotropic Liquid Crystal Using Heuristic Method and Radial Basis Function Neural Networks and Support Vector Machine
inferred← citeshttps://doi.org/10.1002/qsar.200960050openalex-snapshot
Understanding the Aquatic Toxicity of Pesticide: Structure‐Activity Relationship and Molecular Descriptors to Distinguish the Ratings of Toxicity
inferred← citeshttps://doi.org/10.1002/smll.200900179openalex-snapshot
Toward the Development of “Nano‐QSARs”: Advances and Challenges
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_134openalex-snapshot
Drug Design with Artificial Neural Networks
inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_422openalex-snapshot
QSAR Modeling and QSAR Based Virtual Screening, Complexity and Challenges of Modern
inferred← citeshttps://doi.org/10.1007/978-1-4020-6102-8_10openalex-snapshot
Predicting Toxicological and Ecotoxicological Endpoints
inferred← citeshttps://doi.org/10.1007/978-1-4020-9783-6_12openalex-snapshot
Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants
inferred← citeshttps://doi.org/10.1007/978-1-4939-7717-8_15openalex-snapshot
Machine Learning-Based Modeling of Drug Toxicity
inferred← citeshttps://doi.org/10.1007/978-1-62703-059-5_21openalex-snapshot
On the Development and Validation of QSAR Models
inferred← citeshttps://doi.org/10.1007/978-1-62703-342-8_6openalex-snapshot
On Exploring Structure–Activity Relationships
inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_58openalex-snapshot
Prioritization of Chemicals Based on Chemoinformatic Analysis
inferred← citeshttps://doi.org/10.1007/978-3-540-69968-2_6openalex-snapshot
Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas)
inferred← citeshttps://doi.org/10.1007/978-3-7643-8340-4_13openalex-snapshot
Recent Trends in Statistical QSAR Modeling of Environmental Chemical Toxicity
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_58-1openalex-snapshot
Prioritization of Chemicals Based on Chemoinformatic Analysis
inferred← citeshttps://doi.org/10.1007/s00128-011-0316-xopenalex-snapshot
Toxicity Prediction of Dioxins and Dioxin-like Compounds Based on the Molecular Fragments Variable Connectivity Index
inferred← citeshttps://doi.org/10.1007/s00244-019-00703-zopenalex-snapshot
A Simple Approach to the Toxicity Prediction of Anilines and Phenols Towards Aquatic Organisms
inferred← citeshttps://doi.org/10.1007/s00521-013-1404-0openalex-snapshot
Generation of artificial neural networks models in anticancer study
inferred← citeshttps://doi.org/10.1007/s00894-016-3156-0openalex-snapshot
Acute aquatic toxicity of organic solvents modeled by QSARs
inferred← citeshttps://doi.org/10.1007/s10822-018-0125-yopenalex-snapshot
Prediction of partition and distribution coefficients in various solvent pairs with COSMO-RS
inferred← citeshttps://doi.org/10.1007/s11030-010-9280-3openalex-snapshot
First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines
inferred← citeshttps://doi.org/10.1007/s11030-011-9325-2openalex-snapshot
Theoretical study of GSK−3α: neural networks QSAR studies for the design of new inhibitors using 2D descriptors
inferred← citeshttps://doi.org/10.1007/s11224-006-9048-7openalex-snapshot
A partial least squares regression study with antioxidant flavonoid compounds
inferred← citeshttps://doi.org/10.1007/s11224-011-9757-4openalex-snapshot
Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models
inferred← citeshttps://doi.org/10.1007/springerreference_60306openalex-snapshot
Drug Design with Artificial Neural Networks
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12300-5openalex-snapshot
Nontest Methods for REACH Legislation
inferred← citeshttps://doi.org/10.1016/b978-044452701-1.00007-7openalex-snapshot
Chemometrics in QSAR
inferred← citeshttps://doi.org/10.1016/bs.fp.2022.06.002openalex-snapshot
Using ecotoxicology for conservation: From biomarkers to modeling
inferred← citeshttps://doi.org/10.1016/j.aquatox.2016.09.006openalex-snapshot
A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.01.050openalex-snapshot
On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: Embryo and stem cells
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.05.016openalex-snapshot
QSAR study of selective ligands for the thyroid hormone receptor β
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.04.001openalex-snapshot
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
inferred← citeshttps://doi.org/10.1016/j.bmc.2014.01.036openalex-snapshot
Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones
inferred← citeshttps://doi.org/10.1016/j.chemolab.2009.11.002openalex-snapshot
Prediction of the acute toxicity of chemical compounds to the fathead minnow by machine learning approaches
inferred← citeshttps://doi.org/10.1016/j.chemolab.2010.08.016openalex-snapshot
QSAR models for tyrosinase inhibitory activity description applying modern statistical classification techniques: A comparative study
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2007.07.071openalex-snapshot
Evaluation and QSAR modeling on multiple endpoints of estrogen activity based on different bioassays
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2013.06.002openalex-snapshot
Quantitative structure–activity relationship to predict acute fish toxicity of organic solvents
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2014.02.076openalex-snapshot
Development of in silico models for predicting LSER molecular parameters and for acute toxicity prediction to fathead minnow (Pimephales promelas)
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2015.05.056openalex-snapshot
Predicting carcinogenicity of organic compounds based on CPDB
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2017.10.028openalex-snapshot
Developing predictive models for toxicity of organic chemicals to green algae based on mode of action
inferred← citeshttps://doi.org/10.1016/j.chroma.2008.03.021openalex-snapshot
Combination of artificial neural network technique and linear free energy relationship parameters in the prediction of gradient retention times in liquid chromatography
inferred← citeshttps://doi.org/10.1016/j.drudis.2006.06.013openalex-snapshot
Can we estimate the accuracy of ADME–Tox predictions?
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2008.09.002openalex-snapshot
Rapid toxicity prediction of organic chemicals to Chlorella vulgaris using quantitative structure–activity relationships methods
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2013.05.017openalex-snapshot
Predicting acute aquatic toxicity of structurally diverse chemicals in fish using artificial intelligence approaches
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2019.04.035openalex-snapshot
QSAR modelling study of the bioconcentration factor and toxicity of organic compounds to aquatic organisms using machine learning and ensemble methods
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2020.111738openalex-snapshot
Aquatic toxicity (Pre)screening strategy for structurally diverse chemicals: global or local classification tree models?
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.07.053openalex-snapshot
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.09.045openalex-snapshot
2D MI-DRAGON: A new predictor for protein–ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.05.056openalex-snapshot
Synthesis, biological activities and structure−activity relationships for new avermectin analogues
inferred← citeshttps://doi.org/10.1016/j.ejps.2012.11.012openalex-snapshot
QSAR studies of macrocyclic diterpenes with P-glycoprotein inhibitory activity
inferred← citeshttps://doi.org/10.1016/j.envpol.2010.07.006openalex-snapshot
Modeling the chemical and toxic water status of the Scheldt basin (Belgium), using aquatic invertebrate assemblages and an advanced modeling method
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2013.01.002openalex-snapshot
Modeling the effect of experimental variables on the in vitro permeation of six model compounds across porcine skin
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2013.04.025openalex-snapshot
Daphnia and fish toxicity of (benzo)triazoles: Validated QSAR models, and interspecies quantitative activity–activity modelling
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2015.06.054openalex-snapshot
Development of quantitative structure activity relationship (QSAR) model for disinfection byproduct (DBP) research: A review of methods and resources
inferred← citeshttps://doi.org/10.1016/j.jics.2022.100672openalex-snapshot
Automated QSPR modeling and data curation of physicochemical properties using KNIME platform: Prediction of partition coefficients
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.06.005openalex-snapshot
Statistical external validation and consensus modeling: A QSPR case study for Koc prediction
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.01.003openalex-snapshot
In silico screening of estrogen-like chemicals based on different nonlinear classification models
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.12.007openalex-snapshot
Bridging the gap between molecular descriptors and mechanism: Cases studies by molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.jpha.2024.101155openalex-snapshot
Application of artificial intelligence to quantitative structure–retention relationship calculations in chromatography
inferred← citeshttps://doi.org/10.1016/j.jsbmb.2011.04.003openalex-snapshot
Anabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.molstruc.2007.10.038openalex-snapshot
Quantitative structure–property relationship prediction of permeability coefficients for some organic compounds through polyethylene membrane
inferred← citeshttps://doi.org/10.1016/j.saa.2014.11.067openalex-snapshot
Chemometric analysis of correlations between electronic absorption characteristics and structural and/or physicochemical parameters for ampholytic substances of biological and pharmaceutical relevance
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2024.173754openalex-snapshot
Chaotic neural network algorithm with competitive learning integrated with partial Least Square models for the prediction of the toxicity of fragrances in sanitizers and disinfectants
inferred← citeshttps://doi.org/10.1016/j.taap.2007.02.021openalex-snapshot
Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds
inferred← citeshttps://doi.org/10.1016/j.taap.2008.04.008openalex-snapshot
Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds☆Species: Rat; Sex: Male; Route of administration: Water
inferred← citeshttps://doi.org/10.1016/j.taap.2012.03.018openalex-snapshot
VirtualToxLab — A platform for estimating the toxic potential of drugs, chemicals and natural products
inferred← citeshttps://doi.org/10.1016/j.watres.2010.01.009openalex-snapshot
Estimating the toxicities of organic chemicals in activated sludge process
inferred← citeshttps://doi.org/10.1016/j.watres.2018.10.006openalex-snapshot
Molecular insights into the mechanism and the efficiency-structure relationship of phosphorus removal by coagulation
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01079openalex-snapshot
Prior Knowledge for Predictive Modeling: The Case of Acute Aquatic Toxicity
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5b03074openalex-snapshot
Self-Assembled Binary Nanoscale Systems: Multioutput Model with LFER-Covariance Perturbation Theory and an Experimental–Computational Study of NaGDC-DDAB Micelles
inferred← citeshttps://doi.org/10.1021/ci100072zopenalex-snapshot
Pharmaceutical Perspectives of Nonlinear QSAR Strategies
inferred← citeshttps://doi.org/10.1021/ci4003766openalex-snapshot
Criterion for Evaluating the Predictive Ability of Nonlinear Regression Models without Cross-Validation
inferred← citeshttps://doi.org/10.1021/ci500152bopenalex-snapshot
Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization
inferred← citeshttps://doi.org/10.1021/ci7004065openalex-snapshot
Definition and Detection of Outliers in Chemical Space
inferred← citeshttps://doi.org/10.1021/ci9000579openalex-snapshot
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
inferred← citeshttps://doi.org/10.1021/jf501108jopenalex-snapshot
Design, Synthesis, Crystal Structure, Insecticidal Activity, Molecular Docking, and QSAR Studies of Novel N 3 -Substituted Imidacloprid Derivatives
inferred← citeshttps://doi.org/10.1021/jm050997mopenalex-snapshot
Comparison between 5,10,15,20-Tetraaryl- and 5,15-Diarylporphyrins as Photosensitizers: Synthesis, Photodynamic Activity, and Quantitative Structure−Activity Relationship Modeling
inferred← citeshttps://doi.org/10.1021/tx0601509openalex-snapshot
QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles
inferred← citeshttps://doi.org/10.1021/tx900252hopenalex-snapshot
Per- and Polyfluoro Toxicity (LC50 Inhalation) Study in Rat and Mouse Using QSAR Modeling
inferred← citeshttps://doi.org/10.1039/9781847558879-00240openalex-snapshot
Early ADME/T Predictions: Toy or Tool?
inferred← citeshttps://doi.org/10.1039/b923843copenalex-snapshot
QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure
inferred← citeshttps://doi.org/10.1039/bk9781849730044-00148openalex-snapshot
Molecular Descriptors from Two-Dimensional Chemical Structure
inferred← citeshttps://doi.org/10.1039/c4tx00174eopenalex-snapshot
In silico prediction of chemical aquatic toxicity with chemical category approaches and substructural alerts
inferred← citeshttps://doi.org/10.1039/c5mb00325copenalex-snapshot
Experimental and computational studies of fatty acid distribution networks
inferred← citeshttps://doi.org/10.1039/c6ra08751eopenalex-snapshot
Perturbation theory model of reactivity and enantioselectivity of palladium-catalyzed Heck–Heck cascade reactions
inferred← citeshttps://doi.org/10.1039/c7em00519aopenalex-snapshot
QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals
inferred← citeshttps://doi.org/10.1080/03601234.2021.1934358openalex-snapshot
A simple approach to the prediction of soil sorption of organophosphorus pesticides
inferred← citeshttps://doi.org/10.1080/07391102.2021.2021993openalex-snapshot
Predictive modeling and therapeutic repurposing of natural compounds against the receptor-binding domain of SARS-CoV-2
inferred← citeshttps://doi.org/10.1080/10629360601054388openalex-snapshot
Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity
inferred← citeshttps://doi.org/10.1080/10629360802085033openalex-snapshot
Characterisation of the chemical and biological properties of molecules with QSAR/QSPR and chemical grouping, and its application to a group of alkyl ethers
inferred← citeshttps://doi.org/10.1080/10629360802358430openalex-snapshot
Prediction of chemical toxicity with local support vector regression and activity-specific kernels
inferred← citeshttps://doi.org/10.1080/10629360902949567openalex-snapshot
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)
inferred← citeshttps://doi.org/10.1080/10629361003773930openalex-snapshot
Quantitative structure-activity relationship modelling of the carcinogenic risk of nitroso compounds using regression analysis and the TOPS-MODE approach
inferred← citeshttps://doi.org/10.1080/1062936x.2010.502300openalex-snapshot
Using support vector regression coupled with the genetic algorithm for predicting acute toxicity to the fathead minnow
inferred← citeshttps://doi.org/10.1080/1062936x.2011.604098openalex-snapshot
Predicting total organic halide formation from drinking water chlorination using quantitative structure–property relationships
inferred← citeshttps://doi.org/10.1080/1062936x.2011.623317openalex-snapshot
Quantitative structure–activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors
inferred← citeshttps://doi.org/10.1080/1062936x.2011.645872openalex-snapshot
QSTR with extended topochemical atom (ETA) indices. 15. Development of predictive models for toxicity of organic chemicals against fathead minnow using second-generation ETA indices
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1018938openalex-snapshot
A similarity-based QSAR model for predicting acute toxicity towards the fathead minnow (Pimephales promelas)
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1018939openalex-snapshot
Comparison of global and mode of action-based models for aquatic toxicity
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1137353openalex-snapshot
QSAR study of the acute toxicity to fathead minnow based on a large dataset
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1196388openalex-snapshot
Robust modelling of acute toxicity towards fathead minnow (Pimephales promelas)using counter-propagation artificial neural networks and genetic algorithm
inferred← citeshttps://doi.org/10.1080/1062936x.2016.1229691openalex-snapshot
Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1436086openalex-snapshot
Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors
inferred← citeshttps://doi.org/10.1080/1062936x.2021.1890208openalex-snapshot
Sample-size dependence of validation parameters in linear regression models and in QSAR
inferred← citeshttps://doi.org/10.1080/1062936x.2022.2098814openalex-snapshot
Prediction of acute toxicity to Daphnia magna and interspecific correlation: a global QSAR model and a Daphnia-minnow QTTR model
inferred← citeshttps://doi.org/10.1080/10659360600787650openalex-snapshot
Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study
inferred← citeshttps://doi.org/10.1080/10934520802598380openalex-snapshot
A molecular fragments variable connectivity index for studying the toxicity (Vibrio fischeripT50) of substituted-benzenes
inferred← citeshttps://doi.org/10.1080/15376510701857353openalex-snapshot
A Hierarchical Clustering Methodology for the Estimation of Toxicity
inferred← citeshttps://doi.org/10.1093/bioinformatics/btz521openalex-snapshot
MaNGA: a novel multi-niche multi-objective genetic algorithm for QSAR modelling
inferred← citeshttps://doi.org/10.1093/toxsci/kfq317openalex-snapshot
Predicting Skin Permeability from Complex Chemical Mixtures: Dependency of Quantitative Structure Permeation Relationships on Biology of Skin Model Used
inferred← citeshttps://doi.org/10.1111/cbdd.13637openalex-snapshot
The activity prediction of indole inhibitors against HCV NS5B polymerase
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2010.01068.xopenalex-snapshot
Structural Requirements of Isoquinolones as Novel Selective c‐Jun N‐terminal Kinase 1 Inhibitors: 2D and 3D QSAR Analyses
inferred← citeshttps://doi.org/10.1111/jvp.12121openalex-snapshot
Prediction of formulation effects on dermal absorption of topically applied ectoparasiticides dosed in vitro on canine and porcine skin using a mixture‐adjusted quantitative structure permeability relationship
inferred← citeshttps://doi.org/10.1177/026119290603400607openalex-snapshot
Integrated Decision-tree Testing Strategies for Environmental Toxicity with Respect to the Requirements of the EU REACH Legislation
inferred← citeshttps://doi.org/10.1177/026119290803601s04openalex-snapshot
Integrated Decision-tree Testing Strategies for Environmental Toxicity with Respect to the Requirements of the EU REACH Legislation
inferred← citeshttps://doi.org/10.1177/026119290903700506openalex-snapshot
In Silico Toxicology in Drug Discovery — Concepts Based on Three-dimensional Models
inferred← citeshttps://doi.org/10.1177/1087057108326078openalex-snapshot
Atom- and Bond-Based 2D TOMOCOMD-CARDD Approach and Ligand-Based Virtual Screening for the Drug Discovery of New Tyrosinase Inhibitors
inferred← citeshttps://doi.org/10.12816/0027880openalex-snapshot
Inhibition of Tetrahymena Pyriformis Growth by Aliphatic Alcohols and Amines : A QSAR Study
inferred← citeshttps://doi.org/10.2174/0115680266251327231017053718openalex-snapshot
Quantitative Structure Activity/Toxicity Relationship through Neural Networks for Drug Discovery or Regulatory Use
inferred← citeshttps://doi.org/10.2478/s11532-009-0143-7openalex-snapshot
QSAR studies of a number of triazole antifungal alcohols
inferred← citeshttps://doi.org/10.2478/s11696-013-0398-5openalex-snapshot
QSAR study of amidino bis-benzimidazole derivatives as potent anti-malarial agents against Plasmodium falciparum
inferred← citeshttps://doi.org/10.3109/14756366.2012.684051openalex-snapshot
Conformation depends on 4D-QSAR analysis using EC–GA method: pharmacophore identification and bioactivity prediction of TIBOs as non-nucleoside reverse transcriptase inhibitors
inferred← citeshttps://doi.org/10.3390/ecsoc-16-01011openalex-snapshot
MI-DRA 3D: New Model for Reconstruction of US FDA Drug-target Network and Theoretic-experimental Studies of Rasagiline Derivatives Inhibitors of AChE
inferred← citeshttps://doi.org/10.3390/ijms160818812openalex-snapshot
Quantitative Structure-Activity Relationships Study on the Rate Constants of Polychlorinated Dibenzo-p-Dioxins with OH Radical
inferred← citeshttps://doi.org/10.3390/ijms8121265openalex-snapshot
Comparative QSTR Study Using Semi-Empirical and First Principle Methods Based Descriptors for Acute Toxicity of Diverse Organic Compounds to the Fathead Minnow
inferred← citeshttps://doi.org/10.3390/toxics10100581openalex-snapshot
Predicting the Bioconcentration Factor in Fish from Molecular Structures
inferred← citeshttps://doi.org/10.3390/toxics11030209openalex-snapshot
QSAR Models for the Prediction of Dietary Biomagnification Factor in Fish
inferred← citeshttps://doi.org/10.36959/426/605openalex-snapshot
Application of Molecular Descriptor Derived from Weighted Line Graph in Narcosis-QSAR
inferred← citeshttps://doi.org/10.3923/jpt.2006.438.446openalex-snapshot
Molecular Modelling Analysis of the Metabolism of Chloroform
inferred← citeshttps://doi.org/10.4018/978-1-4666-4010-8.ch021openalex-snapshot
Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices
inferred← citeshttps://doi.org/10.4018/978-1-5225-6111-8.ch018openalex-snapshot
Computational Tools and Techniques to Predict Aquatic Toxicity of Some Halogenated Pollutants
inferred← citeshttps://doi.org/10.4018/ijcce.2012070104openalex-snapshot
Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices
inferred← citeshttps://doi.org/10.4018/ijqspr.2019100102openalex-snapshot
QSPR Modeling For Critical Temperatures Of Organic Compounds Using Hybrid Optimal Descriptors
inferred← citeshttps://doi.org/10.4018/ijqspr.20200701.oa1openalex-snapshot
Principles of QSAR Modeling
inferred← citeshttps://doi.org/10.5012/bkcs.2012.33.2.613openalex-snapshot
Prediction of Acute Toxicity to Fathead Minnow by Local Model Based QSAR and Global QSAR Approaches
inferred← citeshttps://doi.org/10.52711/0974-4150.2023.00031openalex-snapshot
Modeling of Inhibition of Tetrahymena pyriformis growth by Aliphatic Alcohols and Amines pollution of l’ environmental
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.