CarcinoPred-EL: Novel models for predicting the carcinogenicity of chemicals using molecular fingerprints and ensemble learning methods

Unknown

(2018)   JOURNAL OF COMPUTATIONAL CHEMISTRY

A novel approach based on KATZ measure to predict associations of human microbiota with non-infectious diseases

(2016) Xing Chen et al.   BIOINFORMATICS

Post-marketing withdrawal of 462 medicinal products because of adverse drug reactions: a systematic review of the world literature

(2016) Igho J. Onakpoya et al.   BMC Medicine

Long non-coding RNAs and complex diseases: from experimental results to computational models

(2016) Xing Chen et al.   BRIEFINGS IN BIOINFORMATICS

Novel naïve Bayes classification models for predicting the carcinogenicity of chemicals

(2016) Hui Zhang et al.   FOOD AND CHEMICAL TOXICOLOGY

Extreme Gradient Boosting as a Method for Quantitative Structure–Activity Relationships

(2016) Robert P. Sheridan et al.   Journal of Chemical Information and Modeling

New clues on carcinogenicity-related substructures derived from mining two large datasets of chemical compounds

(2016) Azadi Golbamaki et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS

iPhos-PseEn: Identifying phosphorylation sites in proteins by fusing different pseudo components into an ensemble classifier

(2016) Wang-Ren Qiu et al.   Oncotarget

HGIMDA: Heterogeneous graph inference for miRNA-disease association prediction

(2016) Xing Chen et al.   Oncotarget

IRWRLDA: improved random walk with restart for lncRNA-disease association prediction

(2016) Xing Chen et al.   Oncotarget

In silico toxicology: computational methods for the prediction of chemical toxicity

(2016) Arwa B. Raies et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

NLLSS: Predicting Synergistic Drug Combinations Based on Semi-supervised Learning

(2016) Xing Chen et al.   PLoS Computational Biology

Unknown

(2016)   Quantitative structure-activity relationships & combinatorial science

A Predictive Model for Toxicity Effects Assessment of Biotransformed Hepatic Drugs Using Iterative Sampling Method

(2016) Alaa Tharwat et al.   Scientific Reports

Drug–target interaction prediction: databases, web servers and computational models

(2015) Xing Chen et al.   BRIEFINGS IN BIOINFORMATICS

Predicting carcinogenicity of organic compounds based on CPDB

(2015) Xiuchao Wu et al.   CHEMOSPHERE

Molecular fingerprint similarity search in virtual screening

(2015) Adrià Cereto-Massagué et al.   METHODS

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(2015)   Molecular Informatics

Regulatory Forum Opinion Piece*

(2015) Abigail C. Jacobs et al.   TOXICOLOGIC PATHOLOGY

Building Predictive Models inRUsing thecaretPackage

(2015) Max Kuhn   Journal of Statistical Software

Addressing toxicity risk when designing and selecting compounds in early drug discovery

(2014) Matthew D. Segall et al.   DRUG DISCOVERY TODAY

Predicting the carcinogenicity of chemicals with alternative approaches: recent advances

(2014) Romualdo Benigni   Expert Opinion on Drug Metabolism & Toxicology

Carcinogenicity Prediction of Noncongeneric Chemicals by a Support Vector Machine

(2013) Min Zhong et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Nongenotoxic Carcinogenicity of Chemicals: Mechanisms of Action and Early Recognition through a New Set of Structural Alerts

(2013) Romualdo Benigni et al.   CHEMICAL REVIEWS

CORAL software: Prediction of carcinogenicity of drugs by means of the Monte Carlo method

(2013) Alla P. Toropova et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Improvement of carcinogenicity prediction performances based on sensitivity analysis in variable selection of SVM models

(2013) K. Tanabe et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Predicting carcinogenicity of diverse chemicals using probabilistic neural network modeling approaches

(2013) Kunwar P. Singh et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

lazar: a modular predictive toxicology framework

(2013) Andreas Maunz et al.   Frontiers in Pharmacology

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions

(2012) Iurii Sushko et al.   Journal of Chemical Information and Modeling

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

(2012) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

History of Chronic Toxicity and Animal Carcinogenicity Studies for Pharmaceuticals

(2012) A. C. Jacobs et al.   VETERINARY PATHOLOGY

Mixed learning algorithms and features ensemble in hepatotoxicity prediction

(2011) Chin Yee Liew et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Update of carcinogenicity studies in animals and humans of 535 marketed pharmaceuticals

(2011) Giovanni Brambilla et al.   MUTATION RESEARCH-REVIEWS IN MUTATION RESEARCH

New public QSAR model for carcinogenicity

(2010) Natalja Fjodorova et al.   Chemistry Central Journal

Alternatives to the carcinogenicity bioassay:in silicomethods, and thein vitroandin vivomutagenicity assays

(2010) Romualdo Benigni et al.   Expert Opinion on Drug Metabolism & Toxicology

Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling

(2010) Kazutoshi Tanabe et al.   MOLECULAR DIVERSITY

Screening pharmaceuticals for possible carcinogenic effects: initial positive results for drugs not previously screened

(2009) Gary D. Friedman et al.   CANCER CAUSES & CONTROL

Quantitative and qualitative models for carcinogenicity prediction for non-congeneric chemicals using CP ANN method for regulatory uses

(2009) Natalja Fjodorova et al.   MOLECULAR DIVERSITY

Prediction of the health effects of polychlorinated biphenyls (PCBs) and their metabolites using quantitative structure–activity relationship (QSAR)☆☆☆

(2008) P. Ruiz et al.   TOXICOLOGY LETTERS