Related references
Note: Only part of the references are listed.Accelerating the Pace of Chemical Risk Assessment
Robert J. Kavlock et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2018)
Regulatory crosstalk between the oxidative stress-related transcription factor Nfe212/Nrf2 and mitochondria
In-geun Ryoo et al.
TOXICOLOGY AND APPLIED PHARMACOLOGY (2018)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity
Fredrik Svensson et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2018)
Orthologue chemical space and its influence on target prediction
Lewis H. Mervin et al.
BIOINFORMATICS (2018)
The ChEMBL database in 2017
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2017)
Metabolic inhibitors accentuate the anti-tumoral effect of HDAC5 inhibition
E. Hendrick et al.
ONCOGENE (2017)
APOBEC3B, a molecular driver of mutagenesis in human cancers
Jun Zou et al.
CELL AND BIOSCIENCE (2017)
Development of Decision Forest Models for Prediction of Drug-Induced Liver Injury in Humans Using A Large Set of FDA-approved Drugs
Huixiao Hong et al.
SCIENTIFIC REPORTS (2017)
FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery
David Lagorce et al.
BIOINFORMATICS (2017)
Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds
Elena S. Salmina et al.
MOLECULES (2016)
PubChem Substance and Compound databases
Sunghwan Kim et al.
NUCLEIC ACIDS RESEARCH (2016)
Understanding Cytotoxicity and Cytostaticity in a High-Throughput Screening Collection
Lewis H. Mervin et al.
ACS CHEMICAL BIOLOGY (2016)
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology
Ann M. Richard et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2016)
Alarms about structural alerts
Vinicius M. Alves et al.
GREEN CHEMISTRY (2016)
Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterization
Ruili Huang et al.
NATURE COMMUNICATIONS (2016)
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data
Chad H. G. Allen et al.
TOXICOLOGY RESEARCH (2016)
DeepTox: Toxicity Prediction using Deep Learning
Andreas Mayr et al.
FRONTIERS IN ENVIRONMENTAL SCIENCE (2016)
Data Warrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis
Thomas Sander et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
An analysis of the attrition of drug candidates from four major pharmaceutical companies
Michael J. Waring et al.
NATURE REVIEWS DRUG DISCOVERY (2015)
InChI, the IUPAC International Chemical Identifier
Stephen R. Heller et al.
JOURNAL OF CHEMINFORMATICS (2015)
ROR nuclear receptors: structures, related diseases, and drug discovery
Yan Zhang et al.
ACTA PHARMACOLOGICA SINICA (2015)
Integrative Approaches for Predicting In Vivo Effects of Chemicals from their Structural Descriptors and the Results of Short-Term Biological Assays
Yen Sia Low et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2014)
Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts
Sonia Liggi et al.
FUTURE MEDICINAL CHEMISTRY (2014)
ProTox: a web server for the in silico prediction of rodent oral toxicity
Malgorzata N. Drwal et al.
NUCLEIC ACIDS RESEARCH (2014)
Improving the Human Hazard Characterization of Chemicals: A Tox21 Update
Raymond R. Tice et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2013)
Aldehyde dehydrogenases in cellular responses to oxidative/electrophilic stress
Surendra Singh et al.
FREE RADICAL BIOLOGY AND MEDICINE (2013)
ToxAlerts: A Web Server of Structural Alerts for Toxfic Chemicals and Compounds with Potential Adverse Reactions
Iurii Sushko et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Machine Learning Methods for Property Prediction in Chemoinformatics: Quo Vadis?
Alexandre Varnek et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Large-scale prediction and testing of drug activity on side-effect targets
Eugen Lounkine et al.
NATURE (2012)
A Comprehensive Statistical Analysis of Predicting In Vivo Hazard Using High-Throughput In Vitro Screening
Russell S. Thomas et al.
TOXICOLOGICAL SCIENCES (2012)
Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States
Antonia F. Stepan et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2011)
Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology
Johannes A. H. Schwoebel et al.
CHEMICAL REVIEWS (2011)
Use of in Vitro HTS-Derived Concentration-Response Data as Biological Descriptors Improves the Accuracy of QSAR Models of in Vivo Toxicity
Alexander Sedykh et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2011)
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Iurii Sushko et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2011)
PTP1B regulates Eph receptor function and trafficking
Eva Nievergall et al.
JOURNAL OF CELL BIOLOGY (2010)
Selective inhibition of histone deacetylase 6 (HDAC6) induces DNA damage and sensitizes transformed cells to anticancer agents
Mandana Namdar et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
The distinct roles of cyclooxygenase-1 and -2 in neuroinflammation: implications for translational research
Sang-Ho Choi et al.
TRENDS IN PHARMACOLOGICAL SCIENCES (2009)
Python for scientific computing
Travis E. Oliphant
COMPUTING IN SCIENCE & ENGINEERING (2007)
Human mammary epithelial cells express CYP27B1 and are growth inhibited by 25-hydroxyvitamin D-3, the major circulating form of vitamin D-3
CM Kemmis et al.
JOURNAL OF NUTRITION (2006)
Glucagon-like peptide-1 receptor signaling modulates β cell apoptosis
YZ Li et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2003)
Random forest: A classification and regression tool for compound classification and QSAR modeling
V Svetnik et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
Share Paper
