QSAR modeling for predicting reproductive toxicity of chemicals in rats for regulatory purposes

Be aware of error measures. Further studies on validation of predictive QSAR models

(2016) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

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

(2016) Nikita Basant et al.   Toxicology Research

In silico prediction of cellular permeability of diverse chemicals using qualitative and quantitative SAR modeling approaches

(2015) Kunwar P. Singh et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

On a simple approach for determining applicability domain of QSAR models

(2015) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

QSTR modeling for predicting aquatic toxicity of pharmacological active compounds in multiple test species for regulatory purpose

(2015) Kunwar P. Singh et al.   CHEMOSPHERE

In silico prediction of chemical toxicity on avian species using chemical category approaches

(2015) Chen Zhang et al.   CHEMOSPHERE

Predicting aquatic toxicities of chemical pesticides in multiple test species using nonlinear QSTR modeling approaches

(2015) Nikita Basant et al.   CHEMOSPHERE

Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

(2015) D. L. J. Alexander et al.   Journal of Chemical Information and Modeling

Predicting the hazardous dose of industrial chemicals in warm-blooded species using machine learning-based modelling approaches

(2015) S. Gupta et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

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

Multispecies QSAR Modeling for Predicting the Aquatic Toxicity of Diverse Organic Chemicals for Regulatory Toxicology

(2014) Kunwar P. Singh et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Evaluating influences of seasonal variations and anthropogenic activities on alluvial groundwater hydrochemistry using ensemble learning approaches

(2014) Kunwar P. Singh et al.   JOURNAL OF HYDROLOGY

Predicting toxicities of ionic liquids in multiple test species – an aid in designing green chemicals

(2014) Kunwar P. Singh et al.   RSC Advances

ChemoPy: freely available python package for computational biology and chemoinformatics

(2013) Dong-Sheng Cao et al.   BIOINFORMATICS

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

Advancing monthly streamflow prediction accuracy of CART models using ensemble learning paradigms

(2012) Halil Ibrahim Erdal et al.   JOURNAL OF HYDROLOGY

Predictive Model of Rat Reproductive Toxicity from ToxCast High Throughput Screening1

(2011) Matthew T Martin et al.   BIOLOGY OF REPRODUCTION

Development of kNN QSAR Models for 3-Arylisoquinoline Antitumor Agents

(2011) Alexander Tropsha et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

(2011) Tomasz Puzyn et al.   Nature Nanotechnology

On the impact of second generation mating and offspring in multi-generation reproductive toxicity studies on classification and labelling of substances in Europe

(2011) Emiel Rorije et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Ligand - based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks

(2010) Antreas Afantitis et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

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

(2010) Indrani Mitra et al.   MOLECULAR SIMULATION

Consistency of random survival forests

(2010) Hemant Ishwaran et al.   STATISTICS & PROBABILITY LETTERS

The European Union’s REACH regulation: a review of its history and requirements

(2009) E. Spencer Williams et al.   CRITICAL REVIEWS IN TOXICOLOGY

Profiling the Reproductive Toxicity of Chemicals from Multigeneration Studies in the Toxicity Reference Database

(2009) Matthew T. Martin et al.   TOXICOLOGICAL SCIENCES

An alternative approach for the prediction of significant wave heights based on classification and regression trees

(2008) J. Mahjoobi et al.   APPLIED OCEAN RESEARCH

Handling class imbalance in customer churn prediction

(2008) J. Burez et al.   EXPERT SYSTEMS WITH APPLICATIONS

QSAR models for reproductive toxicity and endocrine disruption in regulatory use – a preliminary investigation†

(2008) G.E. Jensen et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Toxmatch–a new software tool to aid in the development and evaluation of chemically similar groups

(2008) G. Patlewicz et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH