Standout Papers
Citation Impact
Citing Papers
Computational methods for prediction of in vitro effects of new chemical structures
2016
An application of a decision tree for assessing effects from exposures to multiple substances to the assessment of human and ecological effects from combined exposures to chemicals observed in surface waters and waste water effluents
2012
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products
2018 Standout
Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA)
2014 Standout
Mass spectrometry‐based metabolomics
2006 Standout
Emerging organic contaminants in groundwater: A review of sources, fate and occurrence
2012 Standout
Theoretical Chemistry of Gold
2004 Standout
Toxicology databases and the concept of thresholds of toxicological concern as used by the JECFA for the safety evaluation of flavouring agents
2004
Guidance for the identification of endocrine disruptors in the context of Regulations (EU) No 528/2012 and (EC) No 1107/2009
2018 Standout
Regulatory assessment of chemical mixtures: Requirements, current approaches and future perspectives
2016 Standout
Assessing the safety of co-exposure to food packaging migrants in food and water using the maximum cumulative ratio and an established decision tree
2013
Class-imbalanced classifiers for high-dimensional data
2012
Scientific Software Development Is Not an Oxymoron
2006
Screening of French groundwater for regulated and emerging contaminants
2015
Structure-based thresholds of toxicological concern—guidance for application to substances present at low levels in the diet
2005
OSIRIS, a quest for proof of principle for integrated testing strategies of chemicals for four human health endpoints
2013
Designing antimicrobial peptides: form follows function
2011 Standout
An evaluation of the implementation of the Cramer classification scheme in the Toxtree software
2008
Chemosynthesis of bioresorbable poly(γ-butyrolactone) by ring-opening polymerisation: a review
2004
Trends in glyphosate herbicide use in the United States and globally
2016 Standout
Characteristics and safety assessment of intractable proteins in genetically modified crops
2014
Proteomic analysis of post-translational modifications
2003 Standout
Safety evaluation of superabsorbent baby diapers
2008
Revolutionizing healthcare: the role of artificial intelligence in clinical practice
2023 Standout
In silico toxicology for the pharmaceutical sciences☆
2009
Shape‐Controlled Synthesis of Metal Nanocrystals: Simple Chemistry Meets Complex Physics?
2008 Standout
Computational toxicology—a tool for early safety evaluation
2009
A Weight-of-Evidence Analysis of the Cancer Dose-Response Characteristics of 2,3,7,8-Tetrachlorodibenzodioxin (TCDD)
2005
Critical analysis of literature on low-dose synergy for use in screening chemical mixtures for risk assessment
2011
Therapeutic dose as the point of departure in assessing potential health hazards from drugs in drinking water and recycled municipal wastewater
2010
Application of electronic circular dichroism in configurational and conformational analysis of organic compounds
2007 Standout
Identification of Chemical Compounds that Induce HIF-1α Activity
2009 StandoutNobel
Removal of cytostatic drugs from aquatic environment: A review
2013 Standout
Fourier transform ion cyclotron resonance mass spectrometry: A primer
1998 Standout
Toxicological evaluation of proteins introduced into food crops
2013
MSINDO parameterization for third‐row transition metals
2001
An insight into classification with imbalanced data: Empirical results and current trends on using data intrinsic characteristics
2013 Standout
Acrylamide and 5-hydroxymethylfurfural (HMF): A review on metabolism, toxicity, occurrence in food and mitigation strategies
2010 Standout
Approaches to the risk assessment of genotoxic carcinogens in food: A critical appraisal
2006
Synthesis and swelling behaviors of sodium carboxymethyl cellulose-g-poly(AA-co-AM-co-AMPS)/MMT superabsorbent hydrogel
2010 Standout
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Quantitative Structure−Activity Relationship Modeling of Rat Acute Toxicity by Oral Exposure
2009
Cytotoxic drugs in drinking water: A prediction and risk assessment exercise for the thames catchment in the United Kingdom
2009
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
2008 Standout
Geometrical and electronic structures of AumAgn (2⩽m+n⩽8)
2006
Rv2131c fromMycobacterium tuberculosisIs a CysQ 3′-Phosphoadenosine-5′-phosphatase
2008 StandoutNobel
Modeling Oral Rat Chronic Toxicity
2008
Scopy: an integrated negative design python library for desirable HTS/VS database design
2020
Emerging contaminants in surface waters and their relevance for the production of drinking water in Europe
2010
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
2012 Standout
Theoretical Analysis of the Porphyrin−Porphyrin Exciton Interaction in Circular Dichroism Spectra of Dimeric Tetraarylporphyrins
2003
Framework for Identifying Chemicals with Structural Features Associated with the Potential to Act as Developmental or Reproductive Toxicants
2013
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology
2016
Lignocellulosic biomass: a sustainable platform for the production of bio-based chemicals and polymers
2015 Standout
Mass spectrometry-based proteomics
2003 StandoutNature
New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling
2015
Dietary and Policy Priorities for Cardiovascular Disease, Diabetes, and Obesity
2016 Standout
The Toxicity Data Landscape for Environmental Chemicals
2008
ProTox-II: a webserver for the prediction of toxicity of chemicals
2018 Standout
It is time to develop ecological thresholds of toxicological concern to assist environmental hazard assessment
2015
The Threshold of Toxicological Concern Concept in Risk Assessment
2005 Standout
Regulate to reduce chemical mixture risk
2018 StandoutScience
Hormones and Endocrine-Disrupting Chemicals: Low-Dose Effects and Nonmonotonic Dose Responses
2012 Standout
Atmospheric pressure ionization permanent magnet fourier transform ion cyclotron resonance mass spectrometry
2007 StandoutNobel
Optical absorption spectra of Au7, Au9, Au11, and Au13, and their cations: Gold clusters with 6, 7, 8, 9, 10, 11, 12, and 13 s-electrons
1994
Internet-of-Things (IoT)-Based Smart Agriculture: Toward Making the Fields Talk
2019 Standout
Pharmaceuticals of Emerging Concern in Aquatic Systems: Chemistry, Occurrence, Effects, and Removal Methods
2019 Standout
Kinetic and Theoretical Studies on the Protonation of [Ni(2-SC6H4N){PhP(CH2CH2PPh2)2}]+: Nitrogen versus Sulfur as the Protonation Site
2011 StandoutNobel
Irrigation of Root Vegetables with Treated Wastewater: Evaluating Uptake of Pharmaceuticals and the Associated Human Health Risks
2014
Light emission during the agglomeration of silver clusters in noble gas matrices
1998 StandoutNobel
Oxygen Adsorption on Hydrated Gold Cluster Anions: Experiment and Theory
2003
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
SMOTE for Learning from Imbalanced Data: Progress and Challenges, Marking the 15-year Anniversary
2018 Standout
CO adsorption on pure and binary-alloy gold clusters: A quantum chemical study
2006
An international database for pesticide risk assessments and management
2016 Standout
Risk assessment of combined exposure to multiple chemicals: A WHO/IPCS framework
2011 Standout
Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions
2018 StandoutNobel
Shining Light into Black Boxes
2012 StandoutScienceNobel
Structures of small gold cluster cations (Aun+, n<14): Ion mobility measurements versus density functional calculations
2002
Food safety for food security: Relationship between global megatrends and developments in food safety
2017
Reactions of gold cluster cations Aun+ (n=1–12) with H2S and H2
2003
Discovery of sulfated metabolites in mycobacteria with a genetic and mass spectrometric approach
2002 StandoutNobel
Artificial Intelligence in Drug Toxicity Prediction: Recent Advances, Challenges, and Future Perspectives
2023
Computational Toxicology Approaches at the US Food and Drug Administration
2009
Works of M Cheeseman being referenced
Structure-based thresholds of toxicological concern (TTC): guidance for application to substances present at low levels in the diet
2003 Standout
A tiered approach to threshold of regulation
1999
BUILDING AN ORGAN-SPECIFIC CARCINOGENIC DATABASE FOR SAR ANALYSES
2004
The use of structure–activity relationship analysis in the food contact notification program
2005
Structure–activity relationship analysis tools: Validation and applicability in predicting carcinogens
2007
Ionization potentials and reactivity of coinage metal clusters
1992
Infrared multiple photon dissociation spectra of gaseous ions
1993
Exchange striction in the Mn2 molecule
1989
Landscape of current toxicity databases and database standards.
2006