Probabilistic diagram for designing chemicals with reduced potency to incur cytotoxicity

Editor's Highlight: Analysis of the Effects of Cell Stress and Cytotoxicity onIn VitroAssay Activity Across a Diverse Chemical and Assay Space

(2016) Richard Judson et al.   TOXICOLOGICAL SCIENCES

Molecular Mechanisms of Aldehyde Toxicity: A Chemical Perspective

(2014) Richard M. LoPachin et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Phenotypic screening of the ToxCast chemical library to classify toxic and therapeutic mechanisms

(2014) Nicole C Kleinstreuer et al.   NATURE BIOTECHNOLOGY

Identifying and designing chemicals with minimal acute aquatic toxicity

(2014) Jakub Kostal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Tox21 robotic platform for the assessment of environmental chemicals – from vision to reality

(2013) Matias S. Attene-Ramos et al.   DRUG DISCOVERY TODAY

Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models

(2013) Todd M. Martin et al.   Journal of Chemical Information and Modeling

Progress in computational toxicology

(2013) Sean Ekins   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

minerva and minepy: a C engine for the MINE suite and its R, Python and MATLAB wrappers

(2012) Davide Albanese et al.   BIOINFORMATICS

A Free Energy Approach to the Prediction of Olefin and Epoxide Mutagenicity and Carcinogenicity

(2012) Jakub Kostal et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Update on EPA’s ToxCast Program: Providing High Throughput Decision Support Tools for Chemical Risk Management

(2012) Robert Kavlock et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Python for Scientists and Engineers

(2011) K. Jarrod Millman et al.   COMPUTING IN SCIENCE & ENGINEERING

The NumPy Array: A Structure for Efficient Numerical Computation

(2011) Stéfan van der Walt et al.   COMPUTING IN SCIENCE & ENGINEERING

Towards rational molecular design: derivation of property guidelines for reduced acute aquatic toxicity

(2011) Adelina M. Voutchkova et al.   GREEN CHEMISTRY

Detecting Novel Associations in Large Data Sets

(2011) D. N. Reshef et al.   SCIENCE

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

QSAR study for cytotoxicity of diterpenoid tanshinones

(2011) Mei-Lian Zhao et al.   Interdisciplinary Sciences-Computational Life Sciences

The future of toxicity testing: a focus on in vitro methods using a quantitative high-throughput screening platform

(2010) Sunita J. Shukla et al.   DRUG DISCOVERY TODAY

Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

(2010) Sarah R Langdon et al.   Journal of Cheminformatics

In Vitro Screening of Environmental Chemicals for Targeted Testing Prioritization: The ToxCast Project

(2009) Richard S. Judson et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toxicology for the twenty-first century

(2009) Thomas Hartung   NATURE

Data Mining the NCI60 to Predict Generalized Cytotoxicity

(2008) Adam C. Lee et al.   Journal of Chemical Information and Modeling

Transforming Environmental Health Protection

(2008) Francis S. Collins et al.   SCIENCE