What is the ecotoxicity of a given chemical for a given aquatic species? Predicting interactions between species and chemicals using recommender system techniques

Predicting chemical hazard across taxa through machine learning

(2022) Jimeng Wu et al.   ENVIRONMENT INTERNATIONAL

The ECOTOXicology Knowledgebase: A Curated Database of Ecologically Relevant Toxicity Tests to Support Environmental Research and Risk Assessment

(2022) Jennifer H. Olker et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Random forest algorithm-based classification model of pesticide aquatic toxicity to fishes

(2022) Xinliang Yu et al.   AQUATIC TOXICOLOGY

Machine Learning and Artificial Intelligence in Toxicological Sciences

(2022) Zhoumeng Lin et al.   TOXICOLOGICAL SCIENCES

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods

(2021) Sankalp Jain et al.   Journal of Chemical Information and Modeling

Explaining Deep Neural Networks and Beyond: A Review of Methods and Applications

(2021) Wojciech Samek et al.   PROCEEDINGS OF THE IEEE

Quantitative Toxicity Prediction via Meta Ensembling of Multitask Deep Learning Models

(2021) Abdul Karim et al.   ACS Omega

Boosting Tree-Assisted Multitask Deep Learning for Small Scientific Datasets

(2020) Jian Jiang et al.   Journal of Chemical Information and Modeling

In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways

(2020) Jennifer Hemmerich et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Species Sensitivity to Toxic Substances: Evolution, Ecology and Applications

(2020) David Spurgeon et al.   Frontiers in Environmental Science

A review on machine learning methods for in silico toxicity prediction

(2019) Gabriel Idakwo et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS

Advancing Computational Toxicology in the Big Data Era by Artificial Intelligence: Data-Driven and Mechanism-Driven Modeling for Chemical Toxicity

(2019) Heather L. Ciallella et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Ensemble QSAR Modeling to Predict Multispecies Fish Toxicity Lethal Concentrations and Points of Departure

(2019) Thomas Sheffield et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Artificial Intelligence for Drug Toxicity and Safety

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

Testing developmental toxicity in a second species: are the differences due to species or replication error?

(2019) Hedwig M. Braakhuis et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Machine learning approaches and databases for prediction of drug–target interaction: a survey paper

(2019) Maryam Bagherian et al.   BRIEFINGS IN BIOINFORMATICS

Variability in fish bioconcentration factors: Influences of study design and consequences for regulation

(2019) Pim N.H. Wassenaar et al.   CHEMOSPHERE

Quantitative Toxicity Prediction Using Topology Based Multitask Deep Neural Networks

(2018) Kedi Wu et al.   Journal of Chemical Information and Modeling

OPERA models for predicting physicochemical properties and environmental fate endpoints

(2018) Kamel Mansouri et al.   Journal of Cheminformatics

Probing the origin of estrogen receptor alpha inhibition via large-scale QSAR study

(2018) Naravut Suvannang et al.   RSC Advances

Machine Learning for Drug-Target Interaction Prediction

(2018) Ruolan Chen et al.   MOLECULES

A Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space

(2018) Sergey Sosnin et al.   Journal of Chemical Information and Modeling

How in silico and QSAR approaches can increase confidence in environmental hazard and risk assessment

(2018) Paul C Thomas et al.   Integrated Environmental Assessment and Management

Examining predictors of chemical toxicity in freshwater fish using the random forest technique

(2017) Baigal-Amar Tuulaikhuu et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction

(2017) Youjun Xu et al.   Journal of Chemical Information and Modeling

Deep-Learning-Based Drug–Target Interaction Prediction

(2017) Ming Wen et al.   JOURNAL OF PROTEOME RESEARCH

In silico prediction of pesticide aquatic toxicity with chemical category approaches

(2017) Fuxing Li et al.   Toxicology Research

CRED: Criteria for reporting and evaluating ecotoxicity data

(2016) Caroline T.A. Moermond et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Modeling the toxicity of chemical pesticides in multiple test species using local and global QSTR approaches

(2016) Nikita Basant et al.   Toxicology Research

Recommender system application developments: A survey

(2015) Jie Lu et al.   DECISION SUPPORT SYSTEMS

Predicting aquatic toxicities of benzene derivatives in multiple test species using local, global and interspecies QSTR modeling approaches

(2015) Shikha Gupta et al.   RSC Advances

In silico prediction of chemical aquatic toxicity with chemical category approaches and substructural alerts

(2015) Lu Sun et al.   Toxicology Research

Toward more realistic drug-target interaction predictions

(2014) T. Pahikkala et al.   BRIEFINGS IN BIOINFORMATICS

Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization

(2014) Muhammad Ammad-ud-din et al.   Journal of Chemical Information and Modeling

Integrated QSAR study for inhibitors of hedgehog signal pathway against multiple cell lines:a collaborative filtering method

(2012) Jun Gao et al.   BMC BIOINFORMATICS

On the quantification of intertest variability in ecotoxicity data with application to species sensitivity distributions

(2012) Graeme L. Hickey et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

A literature review and classification of recommender systems research

(2012) Deuk Hee Park et al.   EXPERT SYSTEMS WITH APPLICATIONS

LIBSVM

(2012) Chih-Chung Chang et al.   ACM Transactions on Intelligent Systems and Technology

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

(2010) Gerard J. P. van Westen et al.   MedChemComm

Matrix Factorization Techniques for Recommender Systems

(2009) Yehuda Koren et al.   COMPUTER