Toxicity prediction based on artificial intelligence: A multidisciplinary overview

Hyperspectral technique combined with deep learning algorithm for detection of compound heavy metals in lettuce

(2020) Zhou xin et al.   FOOD CHEMISTRY

Image Based Liver Toxicity Prediction

(2020) Ece Asilar et al.   Journal of Chemical Information and Modeling

Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches

(2020) Jose R. Mora et al.   CHEMICAL RESEARCH IN TOXICOLOGY

A novel strategy for prediction of human plasma protein binding using machine learning techniques

(2020) Yawen Yuan et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Prediction of soil adsorption coefficient in pesticides using physicochemical properties and molecular descriptors by machine learning models

(2020) Yoshiyuki Kobayashi et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Quantitative Prediction of Hemolytic Toxicity for Small Molecules and Their Potential Hemolytic Fragments by Machine Learning and Recursive Fragmentation Methods

(2020) Suqing Zheng et al.   Journal of Chemical Information and Modeling

Revealing cytotoxic substructures in molecules using deep learning

(2020) Henry E. Webel et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI)

(2020) Eni Minerali et al.   MOLECULAR PHARMACEUTICS

A Hybrid Deep Learning Model to Forecast Particulate Matter Concentration Levels in Seoul, South Korea

(2020) Guang Yang et al.   Atmosphere

Predicting direct hepatocyte toxicity in humans by combining high-throughput imaging of HepaRG cells and machine learning-based phenotypic profiling

(2020) Faezah Hussain et al.   ARCHIVES OF TOXICOLOGY

Toward a Computational Ecotoxicity Assay

(2020) Natasha Kamerlin et al.   Journal of Chemical Information and Modeling

Molecular Image-Based Prediction Models of Nuclear Receptor Agonists and Antagonists Using the DeepSnap-Deep Learning Approach with the Tox21 10K Library

(2020) Yasunari Matsuzaka et al.   MOLECULES

The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis

(2020) Kwang-Eun Choi et al.   MOLECULES

Validity of Tier 1 Modelling Tools and Impacts on Exposure Assessments within REACH Registrations—ETEAM Project, Validation Studies and Consequences

(2020) Urs Schlueter et al.   International Journal of Environmental Research and Public Health

Improved Antibiotic Detection in Raw Milk Using Machine Learning Tools over the Absorption Spectra of a Problem-Specific Nanobiosensor

(2020) Pablo Gutiérrez et al.   SENSORS

Machine learning-guided discovery and design of non-hemolytic peptides

(2020) Fabien Plisson et al.   Scientific Reports

Machine Learning Models for the Prediction of Chemotherapy-Induced Peripheral Neuropathy

(2019) Peter Bloomingdale et al.   PHARMACEUTICAL RESEARCH

Terahertz Spectroscopy Determination of Benzoic Acid Additive in Wheat Flour by Machine Learning

(2019) Xudong Sun et al.   Journal of Infrared Millimeter and Terahertz Waves

In silico prediction of drug‐induced rhabdomyolysis with machine‐learning models and structural alerts

(2019) Xueyan Cui et al.   JOURNAL OF APPLIED TOXICOLOGY

Prediction of irinotecan toxicity in metastatic colorectal cancer patients based on machine learning models with pharmacokinetic parameters

(2019) Esther Oyaga-Iriarte et al.   JOURNAL OF PHARMACOLOGICAL SCIENCES

Multiclass Classifier for P-Glycoprotein Substrates, Inhibitors, and Non-Active Compounds

(2019) Liadys Mora Lagares et al.   MOLECULES

Future pesticide risk assessment: narrowing the gap between intention and reality

(2019) Ralf B. Schäfer et al.   Environmental Sciences Europe

Targeting HIV/HCV Coinfection Using a Machine Learning-Based Multiple Quantitative Structure-Activity Relationships (Multiple QSAR) Method

(2019) Yu Wei et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

In Silico Prediction of Hemolytic Toxicity on the Human Erythrocytes for Small Molecules by Machine-Learning and Genetic Algorithm

(2019) Suqing Zheng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Prediction of formation of polycyclic aromatic hydrocarbon (PAHs) on sediment of Caspian Sea using artificial neural networks

(2019) Javad Sayyad Amin et al.   PETROLEUM SCIENCE AND TECHNOLOGY

Big Data and Artificial Intelligence Modeling for Drug Discovery

(2019) Hao Zhu   Annual Review of Pharmacology and Toxicology

Application of Deep Learning in Food: A Review

(2019) Lei Zhou et al.   COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY

Pixel-level aflatoxin detecting based on deep learning and hyperspectral imaging

(2019) Zhongzhi Han et al.   COMPUTERS AND ELECTRONICS IN AGRICULTURE

Deep learning in drug discovery: opportunities, challenges and future prospects

(2019) Antonio Lavecchia   DRUG DISCOVERY TODAY

Quantitative TLC-SERS detection of histamine in seafood with support vector machine analysis

(2019) Ailing Tan et al.   FOOD CONTROL

Toxicity Prediction Method Based on Multi-Channel Convolutional Neural Network

(2019) Yuan et al.   MOLECULES

Prediction of the skin sensitising potential and potency of compounds via mechanism-based binary and ternary classification models

(2019) Peiwen Di et al.   TOXICOLOGY IN VITRO

Artificial Intelligence for Drug Toxicity and Safety

(2019) Anna O. Basile et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

An Overview of Machine Learning and Big Data for Drug Toxicity Evaluation

(2019) Andy H. Vo et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Computational Investigation of Drug Phototoxicity: Photosafety Assessment, Photo-Toxophore Identification, and Machine Learning

(2019) Friedemann Schmidt et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Predicting Drug-Induced Liver Injury with Bayesian Machine Learning

(2019) Dominic P. Williams et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Moving beyond Binary Predictions of Human Drug-Induced Liver Injury (DILI) toward Contrasting Relative Risk Potential

(2019) Michael D. Aleo et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Drug-induced liver injury severity and toxicity (DILIst): binary classification of 1279 drugs by human hepatotoxicity

(2019) Shraddha Thakkar et al.   DRUG DISCOVERY TODAY

CapsCarcino: A novel sparse data deep learning tool for predicting carcinogens

(2019) Yi-Wei Wang et al.   FOOD AND CHEMICAL TOXICOLOGY

ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches

(2019) Zhenxing Wu et al.   Journal of Chemical Information and Modeling

Managing the challenge of drug-induced liver injury: a roadmap for the development and deployment of preclinical predictive models

(2019) Richard J. Weaver et al.   NATURE REVIEWS DRUG DISCOVERY

A multiparametric organ toxicity predictor for drug discovery

(2019) Chirag N. Patel et al.   TOXICOLOGY MECHANISMS AND METHODS

Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II

(2019) Keiji Ogura et al.   Scientific Reports

Toxicity prediction of small drug molecules of androgen receptor using multilevel ensemble model

(2019) Vishan Kumar Gupta et al.   Journal of Bioinformatics and Computational Biology

Preclinical toxicity of innovative molecules: In vitro, in vivo and metabolism prediction

(2019) D.R. Tonholo et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Drug-Induced Liver Injury: Biomarkers, Requirements, Candidates, and Validation

(2019) Lucy Meunier et al.   Frontiers in Pharmacology

Optical detection of aflatoxins B in grained almonds using fluorescence spectroscopy and machine learning algorithms

(2019) F.R. Bertani et al.   FOOD CONTROL

Building predictive in vitro pulmonary toxicity assays using high-throughput imaging and artificial intelligence

(2018) Jia-Ying Joey Lee et al.   ARCHIVES OF TOXICOLOGY

Advancing Predictive Hepatotoxicity at the Intersection of Experimental, in Silico, and Artificial Intelligence Technologies

(2018) Keith Fraser et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Demonstration of a consensus approach for the calculation of physicochemical properties required for environmental fate assessments

(2018) Caroline Tebes-Stevens et al.   CHEMOSPHERE

A novel integrated action crossing method for drug-drug interaction prediction in non-communicable diseases

(2018) Sathien Hunta et al.   COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE

Image processing based acrylamide detection from fried potato chip images using continuous wavelet transform

(2018) Anjali Yadav et al.   COMPUTERS AND ELECTRONICS IN AGRICULTURE

Non-animal methods to predict skin sensitization (II): an assessment of defined approaches

(2018) Nicole C. Kleinstreuer et al.   CRITICAL REVIEWS IN TOXICOLOGY

The current limits in virtual screening and property prediction

(2018) Michael C Hutter   Future Medicinal Chemistry

Prediction of Human Cytochrome P450 Inhibition Using a Multitask Deep Autoencoder Neural Network

(2018) Xiang Li et al.   MOLECULAR PHARMACEUTICS

ProTox-II: a webserver for the prediction of toxicity of chemicals

(2018) Priyanka Banerjee et al.   NUCLEIC ACIDS RESEARCH

Webcrawling and machine learning as a new approach for the spatial distribution of atmospheric emissions

(2018) Susana Lopez-Aparicio et al.   PLoS One

Deep learning improves prediction of drug–drug and drug–food interactions

(2018) Jae Yong Ryu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity prediction

(2018) Davy Guan et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Identification of Nontoxic Substructures: A New Strategy to Avoid Potential Toxicity Risk

(2018) Hongbin Yang et al.   TOXICOLOGICAL SCIENCES

OPERA models for predicting physicochemical properties and environmental fate endpoints

(2018) Kamel Mansouri et al.   Journal of Cheminformatics

The development and application of in silico models for drug induced liver injury

(2018) Xiao Li et al.   RSC Advances

Corrigendum: In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

(2018) Hongbin Yang et al.   Frontiers in Chemistry

Machine Learning Based Toxicity Prediction: From Chemical Structural Description to Transcriptome Analysis

(2018) Yunyi Wu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Drug-drug interaction extraction from biomedical texts using long short-term memory network

(2018) Sunil Kumar Sahu et al.   JOURNAL OF BIOMEDICAL INFORMATICS

Extreme learning machine-based prediction of uptake of pharmaceuticals in reclaimed water-irrigated lettuces in the Region of Murcia, Spain

(2018) Mariano González García et al.   BIOSYSTEMS ENGINEERING

Computational methods and tools to predict cytochrome P450 metabolism for drug discovery

(2018) Jonathan D. Tyzack et al.   Chemical Biology & Drug Design

Prediction of clinically relevant drug-induced liver injury from structure using machine learning

(2018) Felix Hammann et al.   JOURNAL OF APPLIED TOXICOLOGY

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks

(2018) José Jiménez et al.   Journal of Chemical Information and Modeling

Similarity-based machine learning support vector machine predictor of drug-drug interactions with improved accuracies

(2018) Dalong Song et al.   JOURNAL OF CLINICAL PHARMACY AND THERAPEUTICS

Novel prediction of heavy metal residues in fish using a low-cost optical electronic tongue system based on colorimetric sensors array

(2018) Fangkai Han et al.   JOURNAL OF FOOD PROCESS ENGINEERING

Three-Level Hepatotoxicity Prediction System Based on Adverse Hepatic Effects

(2018) Lu Liu et al.   MOLECULAR PHARMACEUTICS

X-ray absorption spectrum combined with deep neural network for on-line detection of beverage preservatives

(2018) Weifeng Hu et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Prediction of bioconcentration factors in fish and invertebrates using machine learning

(2018) Thomas H. Miller et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Tox_(R)CNN: Deep learning-based nuclei profiling tool for drug toxicity screening

(2018) Daniel Jimenez-Carretero et al.   PLoS Computational Biology

Combining spatial autocorrelation with machine learning increases prediction accuracy of soil heavy metals

(2018) A.P. Sergeev et al.   CATENA

An Integrated Chemical Environment to Support 21st-Century Toxicology

(2017) Shannon M. Bell et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Computational prediction of immune cell cytotoxicity

(2017) Anna K. Schrey et al.   FOOD AND CHEMICAL TOXICOLOGY

The prediction of food additives in the fruit juice based on electronic nose with chemometrics

(2017) Shanshan Qiu et al.   FOOD CHEMISTRY

Insights into the Molecular Basis of the Acute Contact Toxicity of Diverse Organic Chemicals in the Honey Bee

(2017) Xiao Li et al.   Journal of Chemical Information and Modeling

Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters—An in Silico Modeling Approach

(2017) Eleni Kotsampasakou et al.   Journal of Chemical Information and Modeling

In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning

(2017) Qingda Zang et al.   Journal of Chemical Information and Modeling

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA

(2017) Jon R. Sobus et al.   Journal of Exposure Science and Environmental Epidemiology

Machine learning-based prediction of adverse drug effects: An example of seizure-inducing compounds

(2017) Mengxuan Gao et al.   JOURNAL OF PHARMACOLOGICAL SCIENCES

De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles

(2017) Alejandro Speck-Planche et al.   MEDICINAL CHEMISTRY RESEARCH

From Classification to Regression Multitasking QSAR Modeling Using a Novel Modular Neural Network: Simultaneous Prediction of Anticonvulsant Activity and Neurotoxicity of Succinimides

(2017) Davor Antanasijević et al.   MOLECULAR PHARMACEUTICS

Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory

(2017) Riccardo Concu et al.   Nanotoxicology

Predicting drug-induced liver injury: The importance of data curation

(2017) Eleni Kotsampasakou et al.   TOXICOLOGY

Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads

(2017) Alejandro Speck-Planche et al.   ACS Combinatorial Science

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

(2017) Antony J. Williams et al.   Journal of Cheminformatics

In silico prediction of chronic toxicity with chemical category approaches

(2017) Xiao Li et al.   RSC Advances

Application of backpropagation artificial neural network prediction model for the PAH bioremediation of polluted soil

(2016) Richard Olawoyin   CHEMOSPHERE

Drug-Drug Interaction Extraction via Convolutional Neural Networks

(2016) Shengyu Liu et al.   Computational and Mathematical Methods in Medicine

Atmospheric dispersion modeling using Artificial Neural Network based cellular automata

(2016) Pierre Lauret et al.   ENVIRONMENTAL MODELLING & SOFTWARE

Have artificial neural networks met expectations in drug discovery as implemented in QSAR framework?

(2016) Dimitar Dobchev et al.   Expert Opinion on Drug Discovery

Novel naïve Bayes classification models for predicting the carcinogenicity of chemicals

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

ADMET Evaluation in Drug Discovery. 16. Predicting hERG Blockers by Combining Multiple Pharmacophores and Machine Learning Approaches

(2016) Shuangquan Wang et al.   MOLECULAR PHARMACEUTICS

The Next Era: Deep Learning in Pharmaceutical Research

(2016) Sean Ekins   PHARMACEUTICAL RESEARCH

Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity

(2016) Valeria V. Kleandrova et al.   ACS Combinatorial Science

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

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

Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents

(2015) Alejandro Speck-Planche et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Differences in Birth Weight Associated with the 2008 Beijing Olympic Air Pollution Reduction: Results from a Natural Experiment

(2015) David Q. Rich et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment

(2015) Peter P. Egeghy et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Systematic review and meta-analysis of the adverse health effects of ambient PM2.5 and PM10 pollution in the Chinese population

(2015) Feng Lu et al.   ENVIRONMENTAL RESEARCH

Projecting Fine Particulate Matter-Related Mortality in East China

(2015) Lina Madaniyazi et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets

(2015) Alex M. Clark et al.   Journal of Chemical Information and Modeling

Open Source Bayesian Models. 2. Mining a “Big Dataset” To Create and Validate Models with ChEMBL

(2015) Alex M. Clark et al.   Journal of Chemical Information and Modeling

Deep Learning for Drug-Induced Liver Injury

(2015) Youjun Xu et al.   Journal of Chemical Information and Modeling

Predicting drug metabolism: experiment and/or computation?

(2015) Johannes Kirchmair et al.   NATURE REVIEWS DRUG DISCOVERY

Estimation of the chemical-induced eye injury using a Weight-of-Evidence (WoE) battery of 21 artificial neural network (ANN) c-QSAR models (QSAR-21): Part II: Corrosion potential

(2015) Rajeshwar P. Verma et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Estimation of the chemical-induced eye injury using a weight-of-evidence (WoE) battery of 21 artificial neural network (ANN) c-QSAR models (QSAR-21): Part I: Irritation potential

(2015) Rajeshwar P. Verma et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Alternative methods in toxicity testing: the current approach

(2014) Gabrielle Luck de Araújo et al.   Brazilian Journal of Pharmaceutical Sciences

Review of Current Chemoinformatic Tools for Modeling Important Aspects of CYPsmediated Drug Metabolism. Integrating Metabolism Data with Other Biological Profiles to Enhance Drug Discovery

(2014) Alejandro Speck-Planche et al.   CURRENT DRUG METABOLISM

QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets

(2014) Esvieta Tenorio-Borroto et al.   CURRENT DRUG METABOLISM

Chemometrics models for assessment of oxidative stress risk in chrome-electroplating workers

(2014) Rezvan Zendehdel et al.   DRUG AND CHEMICAL TOXICOLOGY

Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions

(2014) Valeria V. Kleandrova et al.   ENVIRONMENT INTERNATIONAL

Computational Tool for Risk Assessment of Nanomaterials: Novel QSTR-Perturbation Model for Simultaneous Prediction of Ecotoxicity and Cytotoxicity of Uncoated and Coated Nanoparticles under Multiple Experimental Conditions

(2014) Valeria V. Kleandrova et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents

(2014) Alejandro Speck-Planche et al.   Future Medicinal Chemistry

Distribution and sources of polycyclic aromatic hydrocarbons in the surface sediments of Gorgan Bay, Caspian Sea

(2014) Peyman Eghtesadi Araghi et al.   MARINE POLLUTION BULLETIN

Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach

(2014) Feng Luan et al.   Nanoscale

Simultaneous Virtual Prediction of Anti-Escherichia coli Activities and ADMET Profiles: A Chemoinformatic Complementary Approach for High-Throughput Screening

(2014) Alejandro Speck-Planche et al.   ACS Combinatorial Science

Machine learning models for predicting PAHs bioavailability in compost amended soils

(2013) Guozhong Wu et al.   CHEMICAL ENGINEERING JOURNAL

Carcinogenicity Prediction of Noncongeneric Chemicals by a Support Vector Machine

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

Exploration of the spatial-Composite Risk Index (CRI) for the characterization of toxicokinetics in petrochemical active areas

(2013) Richard Olawoyin   CHEMOSPHERE

Predicting acute aquatic toxicity of structurally diverse chemicals in fish using artificial intelligence approaches

(2013) Kunwar P. Singh et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

New trends in the analytical determination of emerging contaminants and their transformation products in environmental waters

(2013) Ana Agüera et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Prediction of Heavy Metal Removal by Different Liner Materials from Landfill Leachate: Modeling of Experimental Results Using Artificial Intelligence Technique

(2013) Nurdan Gamze Turan et al.   TheScientificWorldJOURNAL

Predicting carcinogenicity of diverse chemicals using probabilistic neural network modeling approaches

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

Comparison of the results of response surface methodology and artificial neural network for the biosorption of lead using black cumin

(2012) Deniz Bingöl et al.   BIORESOURCE TECHNOLOGY

Fractal colour: A new approach for evaluation of acrylamide contents in biscuits

(2012) Hongfei Lu et al.   FOOD CHEMISTRY

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

Support vector machines in water quality management

(2011) Kunwar P. Singh et al.   ANALYTICA CHIMICA ACTA

Artificial neural network (ANN) approach for modeling Zn(II) adsorption from leachate using a new biosorbent

(2011) N. Gamze Turan et al.   CHEMICAL ENGINEERING JOURNAL

Patterns of widespread decline in North American bumble bees

(2011) S. A. Cameron et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Translating Clinical Findings into Knowledge in Drug Safety Evaluation - Drug Induced Liver Injury Prediction System (DILIps)

(2011) Zhichao Liu et al.   PLoS Computational Biology

Prediction of the acute toxicity of chemical compounds to the fathead minnow by machine learning approaches

(2009) Ning-Xin Tan et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

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

Chemical regulators have overreached

(2009) Thomas Hartung et al.   NATURE

A prediction model of occupational manganese exposure based on artificial neural network

(2009) Yan-Ning Li et al.   TOXICOLOGY MECHANISMS AND METHODS

An empirical hierarchical Bayesian unification of occupational exposure assessment methods

(2008) Pierre-Edouard Sottas et al.   STATISTICS IN MEDICINE