Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculations

Mechanisms of Chemical Carcinogenicity and Mutagenicity: A Review with Implications for Predictive Toxicology

(2011) Romualdo Benigni et al.   CHEMICAL REVIEWS

Epoxide and Thiirane Toxicity In vitro with the CiliatesTetrahymena pyriformis: Structural Alerts Indicating Excess Toxicity

(2011) Franziska Schramm et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Use of Genotoxicity Information in the Development of Integrated Testing Strategies (ITS) for Skin Sensitization

(2010) Ovanes Mekenyan et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Acute and Chronic Toxicity toward the BacteriaVibrio fischeriof Organic Narcotics and Epoxides: Structural Alerts for Epoxide Excess Toxicity

(2010) Ulrike Blaschke et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Thiol Reactivity and Its Impact on the Ciliate Toxicity of α,β-Unsaturated Aldehydes, Ketones, and Esters

(2010) Alexander Böhme et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Prediction of Michael-Type Acceptor Reactivity toward Glutathione

(2010) Johannes A. H. Schwöbel et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Mechanistic Study of the Reaction of Thiol-Containing Enzymes with α,β-Unsaturated Carbonyl Substrates by Computation and Chemoassays

(2010) Alexander Paasche et al.   ChemMedChem

Local Electrophilicity Predicts the Toxicity-Relevant Reactivity of Michael Acceptors

(2010) Dominik Wondrousch et al.   Journal of Physical Chemistry Letters

Combined Proteomic Approaches for the Identification of Specific Amino Acid Residues Modified by 4-Hydroxy-2-Nonenal under Physiological Conditions

(2010) Darío Méndez et al.   JOURNAL OF PROTEOME RESEARCH

Examination of Michael addition reactivity towards glutathione by transition-state calculations

(2010) J.A.H. Schwöbel et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Chemical reactivity measurements: Potential for characterization of respiratory chemical allergens

(2010) Jon F. Lalko et al.   TOXICOLOGY IN VITRO

Kinetic Glutathione Chemoassay To Quantify Thiol Reactivity of Organic ElectrophilesApplication to α,β-Unsaturated Ketones, Acrylates, and Propiolates

(2009) Alexander Böhme et al.   CHEMICAL RESEARCH IN TOXICOLOGY

High Throughput Kinetic Profiling Approach for Covalent Binding to Peptides: Application to Skin Sensitization Potency of Michael Acceptor Electrophiles

(2009) David W. Roberts et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Organocatalyzed highly stereoselective Michael addition of ketones to alkylidene malonates and nitroolefins using chiral primary-secondary diamine catalysts based on bispidine

(2009) Jie Liu et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Reactivity Profiling: Covalent Modification of Single Nucleophile Peptides for Skin Sensitization Risk Assessment

(2009) Maja Aleksic et al.   TOXICOLOGICAL SCIENCES

Formation of Categories from Structure−Activity Relationships To Allow Read-Across for Risk Assessment: Toxicity of α,β-Unsaturated Carbonyl Compounds

(2008) Yana K. Koleva et al.   CHEMICAL RESEARCH IN TOXICOLOGY

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient  Test Set Activity Mean vs Training Set Activity Mean

(2008) Gerrit Schüürmann et al.   Journal of Chemical Information and Modeling

Stereoselective desymmetrisation of prochiral α,α-dicyanoalkenes via domino Michael–Michael addition reactions

(2008) Tai-Ran Kang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Allergic Contact Dermatitis––Formation, Structural Requirements, and Reactivity of Skin Sensitizers

(2007) Ann-Therese Karlberg et al.   CHEMICAL RESEARCH IN TOXICOLOGY