Standout Papers
Citation Impact
Citing Papers
Planetary boundaries: Guiding human development on a changing planet
2015 StandoutScience
Estrogen-Like Properties of Fluorotelomer Alcohols as Revealed by MCF-7 Breast Cancer Cell Proliferation
2005
Approach for extrapolating in vitro metabolism data to refine bioconcentration factor estimates
2007
Nanotechnology for environmentally sustainable electromobility
2016 StandoutNobel
Adsorption behavior and mechanism of perfluorinated compounds on various adsorbents—A review
2014 Standout
Review of risk from potential emerging contaminants in UK groundwater
2011
Methods for Predicting Human Drug Metabolism
2006
Emerging organic contaminants in groundwater: A review of sources, fate and occurrence
2012 Standout
Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
2015
E-waste: An assessment of global production and environmental impacts
2009 Standout
Green Chemistry: Principles and Practice
2009 Standout
Open Babel: An open chemical toolbox
2011 Standout
Nanopesticide research: Current trends and future priorities
2013 Standout
Perfluoroalkyl Acids: A Review of Monitoring and Toxicological Findings
2007 Standout
A new bioconcentration factor model based on SMILES and indices of presence of atoms
2010
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
2010 Standout
Advantages of toxicokinetic and toxicodynamic modelling in aquatic ecotoxicology and risk assessment
2010
Guidance for the identification of endocrine disruptors in the context of Regulations (EU) No 528/2012 and (EC) No 1107/2009
2018 Standout
Endocrine Disruptors: Data-based survey of in vivo tests, predictive models and the Adverse Outcome Pathway
2017
A review of the pathways of human exposure to poly- and perfluoroalkyl substances (PFASs) and present understanding of health effects
2018 Standout
Recent developments in photocatalytic water treatment technology: A review
2010 Standout
DrugBank: a knowledgebase for drugs, drug actions and drug targets
2007 Standout
Evaluation of human pharmaceutical emissions and concentrations in Swedish river basins
2016
Designing antimicrobial peptides: form follows function
2011 Standout
QSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes toTetrahymena pyriformis
2010
Perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) in surface waters, sediments, soils and wastewater – A review on concentrations and distribution coefficients
2013
The challenges of modeling mammalian biocomplexity
2004
Gas chromatography/flame ionisation detection mass spectrometry for the detection of endogenous urine metabolites for metabonomic studies and its use as a complementary tool to nuclear magnetic resonance spectroscopy
2006 StandoutNobel
Enhancement of chemical rules for predicting compound reactivity towards protein thiol groups
2007
Thermal degradation of fluorotelomer treated articles and related materials
2005
Perfluorinated compounds are related to breast cancer risk in greenlandic inuit: A case control study
2011
Deep learning and process understanding for data-driven Earth system science
2019 StandoutNature
New developments in the trace analysis of organic water pollutants
2012
Evaluation of a photocatalytic reactor membrane pilot system for the removal of pharmaceuticals and endocrine disrupting compounds from water
2009
Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence
2014 Standout
Recent advances in gold nanoparticles-based biosensors for food safety detection
2021 Standout
Removal of perfluorinated surfactants by sorption onto granular activated carbon, zeolite and sludge
2008
Bioaccumulation of polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) in wild aquatic species from an electronic waste (e-waste) recycling site in South China
2008
Model-predicted occurrence of multiple pharmaceuticals in Swedish surface waters and their flushing to the Baltic Sea
2017
Occurrence and fate of emerging contaminants in municipal wastewater treatment plants from different geographical regions-a review
2017 Standout
Microplastics in the marine environment
2011 Standout
I-TASSER: a unified platform for automated protein structure and function prediction
2010 Standout
In silico toxicology for the pharmaceutical sciences☆
2009
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
2017 Standout
In silicopharmacology for drug discovery: applications to targets and beyond
2007
A review on the occurrence of micropollutants in the aquatic environment and their fate and removal during wastewater treatment
2014 Standout
Estimating the contribution of precursor compounds in consumer exposure to PFOS and PFOA
2008
QSPR modeling bioconcentration factor (BCF) by balance of correlations
2009
Review of iron-free Fenton-like systems for activating H2O2 in advanced oxidation processes
2014 Standout
A new hybrid system of QSAR models for predicting bioconcentration factors (BCF)
2008
Perfluoroalkyl sulfonic and carboxylic acids: A critical review of physicochemical properties, levels and patterns in waters and wastewaters, and treatment methods
2009
Electrophilicity as a possible descriptor for toxicity prediction
2005
Predicting drug metabolism: experiment and/or computation?
2015
Applications of nanotechnology in water and wastewater treatment
2013 Standout
Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets
2015
Further exploring r metrics for validation of QSPR models
2011 Standout
Outside the Safe Operating Space of the Planetary Boundary for Novel Entities
2022 Standout
Critical assessment of pendimethalin in terms of persistence, bioaccumulation, toxicity, and potential for long-range transport
2016
Generation of Perfluoroalkyl Acids from Aerobic Biotransformation of Quaternary Ammonium Polyfluoroalkyl Surfactants
2016
New theorem for the wiener molecular branching index of trees with perfect matchings
1990
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
EDC-2: The Endocrine Society's Second Scientific Statement on Endocrine-Disrupting Chemicals
2015 Standout
Simultaneous parameter identification and discrimination of the nonparametric structure of hybrid semi-parametric models
2017
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Degradation of Chloroacetanilide Herbicides by Anodic Fenton Treatment
2006
Azole-Based Energetic Salts
2011 Standout
Screening for PBT Chemicals among the “Existing” and “New” Chemicals of the EU
2012
Electro-Fenton Process and Related Electrochemical Technologies Based on Fenton’s Reaction Chemistry
2009 Standout
Use ofIn VitroAbsorption, Distribution, Metabolism, and Excretion (ADME) Data in Bioaccumulation Assessments for Fish
2007
The pros and cons of ecological risk assessment based on data from different levels of biological organization
2016 Standout
Water Analysis: Emerging Contaminants and Current Issues
2014 Standout
Toward a Global Understanding of Chemical Pollution: A First Comprehensive Analysis of National and Regional Chemical Inventories
2020 Standout
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
2012 Standout
Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective Prediction.
2013
Electrophilicity Index
2006 Standout
The Liver Toxicity Knowledge Base (LKTB) and drug-induced liver injury (DILI) classification for assessment of human liver injury
2017
Laplacian matrices of graphs: a survey
1994 Standout
Extended-Connectivity Fingerprints
2010 Standout
QSPR Modeling of Bioconcentration Factors of Nonionic Organic Compounds
2010
ProTox-II: a webserver for the prediction of toxicity of chemicals
2018 Standout
Identification of Transformation Products of Organic Contaminants in Natural Waters by Computer-Aided Prediction and High-Resolution Mass Spectrometry
2009
Perfluoroalkyl and polyfluoroalkyl substances in the environment: Terminology, classification, and origins
2011 Standout
Sustainable from the very beginning: rational design of molecules by life cycle engineering as an important approach for green pharmacy and green chemistry
2007
Fluorotelomer Alcohol BiodegradationDirect Evidence that Perfluorinated Carbon Chains Breakdown
2005
Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris: Development of a Novel Database
2004
A Review on Progress in QSPR Studies for Surfactants
2010
Alternative Synthetic Methods through New Developments in Catalysis by Gold
2008 Standout
An Electrophilicity Based Analysis of Toxicity of Aromatic Compounds Towards Tetrahymena Pyriformis
2005
Review of QSAR Models and Software Tools for predicting Developmental and Reproductive Toxicity
2010
Drinking water contamination and treatment techniques
2016 Standout
Pharmaceuticals of Emerging Concern in Aquatic Systems: Chemistry, Occurrence, Effects, and Removal Methods
2019 Standout
Aerobic Biotransformation of 14C-Labeled 8-2 Telomer B Alcohol by Activated Sludge from a Domestic Sewage Treatment Plant
2004
The ever-expanding limits of enzyme catalysis and biodegradation: polyaromatic, polychlorinated, polyfluorinated, and polymeric compounds
2020
Workgroup Report: Review of Fish Bioaccumulation Databases Used to Identify Persistent, Bioaccumulative, Toxic Substances
2006
Environmental biodegradation of synthetic polymers I. Test methodologies and procedures
2009
Designing Small Molecules for Biodegradability
2007
(Q)SARs for Predicting Effects Relating to Reproductive Toxicity
2008
Per- and polyfluoroalkyl substances in the environment
2022 StandoutScience
Prediction of Hydrolysis Products of Organic Chemicals under Environmental pH Conditions
2017
Sources, Fate and Transport of Perfluorocarboxylates
2005 Standout
Global Water Pollution and Human Health
2010 Standout
How many persistent organic pollutants should we expect?
2012
A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms
2006 Standout
In silico toxicology: computational methods for the prediction of chemical toxicity
2016
The environmental fate of organic pollutants through the global microbial metabolism
2007
Biotransformation of the Antiviral Drugs Acyclovir and Penciclovir in Activated Sludge Treatment
2011
Works of S. Dimitrov being referenced
Graph—theoretical approach to the calculation of physico-chemical properties of polymers
1983
A kinetic model for predicting biodegradation
2007
Interspecies Modeling of Narcotics Toxicity to Aquatic Animals
2000
A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH
2013
In silicomodelling of hazard endpoints: current problems and perspectives
2003
Base-line model for identifying the bioaccumulation potential of chemicals
2005
Predicting the biodegradation products of perfluorinated chemicals using CATABOL
2004
Simulation of chemical metabolism for fate and hazard assessment. V. Mammalian hazard assessment
2012
A Systematic Approach to Simulating Metabolism in Computational Toxicology. I. The TIMES Heuristic Modelling Framework
2004
Metabolic activation of chemicals:in-silicosimulation†
2006
Bioaccumulation Assessment Using Predictive Approaches
2009
TIMES-SS—A Mechanistic Evaluation of an External Validation Study Using Reaction Chemistry Principles
2007
A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models
2005
Simulation of chemical metabolism for fate and hazard assessment. II CATALOGIC simulation of abiotic and microbial degradation
2011
UVCB substances: Methodology for structural description and application to fate and hazard assessment
2015
Interspecies Modeling of Narcotics Toxicity to Aquatic Animals
2000
Simulation of chemical metabolism for fate and hazard assessment. I. Approach for simulating metabolism
2011
CATALOGIC 301C model – validation and improvement
2017
Global modeling of narcotic chemicals: ciliate and fish toxicity
2003
Bioconcentration potential predictions based on molecular attributes – an early warning approach for chemicals found in humans, birds, fish and wildlife
2003
QSAR Toolbox – workflow and major functionalities
2016 Standout
Probabilistic assessment of biodegradability based on metabolic pathways: CATABOL System
2002
Predicting bioconcentration factors of highly hydrophobic chemicals. Effects of molecular size
2002
Quantitative prediction of biodegradability, metabolite distribution and toxicity of stable metabolites
2002
Non-linear modeling of bioconcentration using partition coefficients for narcotic chemicals
2002
Interspecies quantitative structure-activity relationship model for aldehydes: Aquatic toxicity
2004
Parameter estimation in differential equations by application of rational functions
1993