Related references
Note: Only part of the references are listed.A structural feature-based computational approach for toxicology predictions
Luis G. Valerio et al.
EXPERT OPINION ON DRUG METABOLISM & TOXICOLOGY (2010)
An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions
Joerg Bentzien et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds
Alfonso Perez-Garrido et al.
TOXICOLOGY (2010)
A Strategy for the Risk Assessment of Human Genotoxic Metabolites
Krista L. Dobo et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2009)
An Update on the Genotoxicity and Carcinogenicity of Marketed Pharmaceuticals with Reference to In Silico Preclictivity
Ronald D. Snyder
ENVIRONMENTAL AND MOLECULAR MUTAGENESIS (2009)
Benchmark Data Set for in Silico Prediction of Ames Mutagenicity
Katja Hansen et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models
Dragos Horvath et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Toxicity Testing in the 21st Century: Implications for Human Health Risk Assessment
Robert J. Kavlock et al.
RISK ANALYSIS (2009)
In silico toxicology for the pharmaceutical sciences
Luis G. Valerio
TOXICOLOGY AND APPLIED PHARMACOLOGY (2009)
Identification of a Kinase Profile that Predicts Chromosome Damage Induced by Small Molecule Kinase Inhibitors
Andrew J. Olaharski et al.
PLOS COMPUTATIONAL BIOLOGY (2009)
Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity
Alfonso Perez-Garrido et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2008)
Computational toxicology in drug development
Wolfgang Muster et al.
DRUG DISCOVERY TODAY (2008)
Predictivity of QSAR
Romualdo Benigni et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
The trouble with QSAR (or how I learned to stop worrying and embrace fallacy)
Stephen R. Johnson
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
Comparative QSTR studies for predicting mutagenicity of nitro compounds
Pramod C. Nair et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2008)
The importance of the domain of applicability in QSAR modeling
Shane Weaver et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2008)
DNA-damaging activity and mutagenicity of 16 newly synthesized thiazolo[5,4-a]acridine derivatives with high photo-inducible cytotoxicity
Carole Di Giorgio et al.
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS (2008)
Structure alerts for carcinogenicity, and the Salmonella assay system:: A novel insight through the chemical relational databases technology
Romualdo Benigni et al.
MUTATION RESEARCH-REVIEWS IN MUTATION RESEARCH (2008)
Prediction of PAH mutagenicity in human cells by QSAR classification
E. Papa et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2008)
Understanding genetic toxicity through data mining: The process of building knowledge by integrating multiple genetic toxicity databases
C. Yang et al.
TOXICOLOGY MECHANISMS AND METHODS (2008)
In silico screening of chemicals for genetic toxicity using MDL-QSAR, nonparametric discriminant analysis, e-state, connectivity, and molecular property descriptors
Joseph F. Contrera et al.
TOXICOLOGY MECHANISMS AND METHODS (2008)
Predictivity and reliability of QSAR models: The case of mutagens and carcinogens
Romualdo Benigni et al.
TOXICOLOGY MECHANISMS AND METHODS (2008)
In silico tools for sharing data and knowledge on toxicity and metabolism: Derek for windows, meteor, and vitic
Carol A. Marchant et al.
TOXICOLOGY MECHANISMS AND METHODS (2008)
Computational toxicology - A state of the science mini review
Robert J. Kavlock et al.
TOXICOLOGICAL SCIENCES (2008)
Identifying the structural requirements for chromosomal aberration by incorporating molecular flexibility and metabolic activation of chemicals
Ovaries Mekenyan et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2007)
Comparison of MC4PC and MDL-QSAR rodent carcinogenicity predictions and the enhancement of predictive performance by combining QSAR models
Joseph F. Contrera et al.
REGULATORY TOXICOLOGY AND PHARMACOLOGY (2007)
Assessment of atypical DNA intercalating agents in biological and in silico systems
Ronald D. Snyder
MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS (2007)
Bioluminescent Salmonella reverse mutation assay: a screen for detecting mutagenicity with high throughput attributes
Jiri Aubrecht et al.
MUTAGENESIS (2007)
Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model
R. Serafimova et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2007)
Strategy for genotoxicity testing - Metabolic considerations
Warren W. Ku et al.
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS (2007)
Progress in QSAR toxicity screening of pharmaceutical impurities and other FDA regulated products
Naomi L. Kruhlak et al.
ADVANCED DRUG DELIVERY REVIEWS (2007)
Random forest prediction of mutagenicity from empirical physicochemical descriptors
Qing-You Zhang et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Integration of structure-activity relationship and artificial intelligence systems to improve in silico prediction of ames test mutagenicity
Paolo Mazzatorta et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
What works and what does not: Lessons from experience in a pharmaceutical company
Yvonne Connolly Martin
QSAR & COMBINATORIAL SCIENCE (2006)
Automatic extraction of structural alerts for predicting chromosome aberrations of organic compounds
Ernesto Estrada et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)
DNA intercalative potential of marketed drugs testing positive in in vitro cytogenetics assays
Ronald D. Snyder et al.
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS (2006)
Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity
Christoph Helma
MOLECULAR DIVERSITY (2006)
A rationale for determining, testing, and controlling specific impurities in pharmaceuticals that possess potential for genotoxicity
L Müller et al.
REGULATORY TOXICOLOGY AND PHARMACOLOGY (2006)
The application of structure-based assessment to support safety and chemistry diligence to manage genotoxic impurities in active pharmaceutical ingredients during drug development
KL Dobo et al.
REGULATORY TOXICOLOGY AND PHARMACOLOGY (2006)
An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: II. Identification of genotoxicants, reprotoxicants, and carcinogens using in silico methods
EJ Matthews et al.
REGULATORY TOXICOLOGY AND PHARMACOLOGY (2006)
A low volume, high-throughput forward mutation assay in Salmonella typhimurium based on fluorouracil resistance
JE Miller et al.
MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS (2005)
Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens -: I.: Sensitivity, specificity and relative predictivity
D Kirkland et al.
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS (2005)
Derivation and validation of toxicophores for mutagenicity prediction
J Kazius et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules
RD Snyder et al.
ENVIRONMENTAL AND MOLECULAR MUTAGENESIS (2004)
Carcinogenicity categorization of chemicals - new aspects to be considered in a European perspective
HM Bolt et al.
TOXICOLOGY LETTERS (2004)
Mechanisms of action of DNA intercalating acridine-based drugs: How important are contributions from electron transfer and oxidative stress?
BC Baguley et al.
CURRENT MEDICINAL CHEMISTRY (2003)
Development of binary classification of structural chromosome aberrations for a diverse set of organic compounds from molecular structure
JR Serra et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2003)
Mini mutagenicity test:: a miniaturized version of the Ames test used in a prescreening assay for point mutagenesis assessment
N Flamand et al.
TOXICOLOGY IN VITRO (2001)