Development and validation of regression-based QSAR models for quantification of contributions of molecular fragments to skin sensitization potency of diverse organic chemicals

Linear discriminant analysis for skin sensitisation potential of diverse organic chemicals

(2013) Ashis Nandy et al.   MOLECULAR SIMULATION

First report on development of quantitative interspecies structure–carcinogenicity relationship models and exploring discriminatory features for rodent carcinogenicity of diverse organic chemicals using OECD guidelines

(2012) Supratik Kar et al.   CHEMOSPHERE

The critical review of methodologies and approaches to assess the inherent skin sensitization potential (skin allergies) of chemicals Part I

(2012) Jacob P. Thyssen et al.   CONTACT DERMATITIS

Alternative (non-animal) methods for cosmetics testing: current status and future prospects—2010

(2011) Sarah Adler et al.   ARCHIVES OF TOXICOLOGY

Relating Skin Sensitizing Potency to Chemical Reactivity: Reactive Michael Acceptors Inhibit NF-κB Signaling and Are Less Sensitizing than SNAr- and SN2- Reactive Chemicals

(2011) Andreas Natsch et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Methyl methacrylate and respiratory sensitization: A Critical review

(2011) Jonathan Borak et al.   CRITICAL REVIEWS IN TOXICOLOGY

Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models

(2011) Alfonso Pérez-Garrido et al.   Journal of Chemical Information and Modeling

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Exploring quantitative structure–activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants

(2010) Indrani Mitra et al.   MOLECULAR SIMULATION

Consumer available permanent hair dye products cause major allergic immune activation in an animal model

(2009) C.M. Bonefeld et al.   BRITISH JOURNAL OF DERMATOLOGY

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

Comments on the Definition of theQ2Parameter for QSAR Validation

(2009) Viviana Consonni et al.   Journal of Chemical Information and Modeling

A Comparison of Reactivity Schemes for the Prediction Skin Sensitization Potential

(2008) Grace Patlewicz et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Exploring the impact of size of training sets for the development of predictive QSAR models

(2007) Partha Pratim Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS