Read-Across Prediction of the Acute Toxicity of Organic Compounds toward the Water FleaDaphnia magna

Structural Alerts for the Excess Toxicity of Acrylates, Methacrylates, and Propiolates Derived from Their Short-Term and Long-Term Bacterial Toxicity

(2011) Ulrike Blaschke et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Quantitative Read-Across for Predicting the Acute Fish Toxicity of Organic Compounds

(2011) Gerrit Schüürmann et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

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

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

(2011) Denis Mulliner et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

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

Local Electrophilicity Predicts the Toxicity-Relevant Reactivity of Michael Acceptors

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

Use of read-across and tiered exposure assessment in risk assessment under REACH – A case study on a phase-in substance

(2010) S.R. Vink et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

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

Chemical Domain of QSAR Models from Atom-Centered Fragments

(2009) Ralph Kühne et al.   Journal of Chemical Information and Modeling

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

Chemical reactivity indices and mechanism-based read-across for non-animal based assessment of skin sensitisation potential

(2007) David W. Roberts et al.   JOURNAL OF APPLIED TOXICOLOGY