Related references
Note: Only part of the references are listed.Sustainable Management of Synthetic Chemicals
Hao Zhu et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)
Identification of active and inactive agonists/antagonists of estrogen receptor based on Tox21 10K compound library: Binomial analysis and structure alert
Jia Wang et al.
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY (2021)
Highly accurate protein structure prediction with AlphaFold
John Jumper et al.
NATURE (2021)
Highly accurate protein structure prediction for the human proteome
Kathryn Tunyasuvunakool et al.
NATURE (2021)
AlphaFold2 and the future of structural biology
Patrick Cramer
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2021)
The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology
Ann M. Richard et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2021)
Photolysis and photo-induced toxicity of pyraclostrobin to Vibrio fischeri: Pathway and toxic mechanism
Lingyun Fan et al.
AQUATIC TOXICOLOGY (2020)
Applicability Domains Enhance Application of PPARγ Agonist Classifiers Trained by Drug-like Compounds to Environmental Chemicals
Zhongyu Wang et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2020)
Predictive Models for Human Organ Toxicity Based on In Vitro Bioactivity Data and Chemical Structure
Tuan Xu et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2020)
Flexibility in early drug discovery: focus on the beyond-Rule-of-5 chemical space
Giulia Caron et al.
DRUG DISCOVERY TODAY (2020)
MOA-based linear and nonlinear QSAR models for predicting the toxicity of organic chemicals to Vibrio fischeri
Shengnan Zhang et al.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH (2020)
Discriminant models on mitochondrial toxicity improved by consensus modeling and resolving imbalance in training
Weihao Tang et al.
CHEMOSPHERE (2020)
A Gq Biased Small Molecule Active at the TSH Receptor
Rauf Latif et al.
FRONTIERS IN ENDOCRINOLOGY (2020)
Predicting oxidative stress induced by organic chemicals by using quantitative Structure-Activity relationship methods
Shengnan Zhang et al.
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY (2020)
A Toxicity Prediction Tool for Potential Agonist/Antagonist Activities in Molecular Initiating Events Based on Chemical Structures
Kota Kurosaki et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)
Predicting the cytotoxicity of chemicals using ensemble learning methods and molecular fingerprints
Zimo Yin et al.
JOURNAL OF APPLIED TOXICOLOGY (2019)
Intrinsic Membrane Permeability to Small Molecules
Christof Hannesschlaeger et al.
CHEMICAL REVIEWS (2019)
A New Highly Thyrotropin Receptor-Selective Small-Molecule Antagonist with Potential for the Treatment of Graves' Orbitopathy
Patrick Marcinkowski et al.
THYROID (2019)
Self-Learning Random Forests Model for Mapping Groundwater Yield in Data-Scarce Areas
Maher Ibrahim Sameen et al.
NATURAL RESOURCES RESEARCH (2019)
In Silico Prediction of Blood-Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods
Zhuang Wang et al.
CHEMMEDCHEM (2018)
Machine learning for molecular and materials science
Keith T. Butler et al.
NATURE (2018)
Learning from class-imbalanced data: Review of methods and applications
Guo Haixiang et al.
EXPERT SYSTEMS WITH APPLICATIONS (2017)
Relationship between acute and chronic toxicity for prevalent organic pollutants in Vibrio fischeri based upon chemical mode of action
Xiao H. Wang et al.
JOURNAL OF HAZARDOUS MATERIALS (2017)
In Silico Prediction of Drug-Induced Liver Injury Based on Adverse Drug Reaction Reports
Xiang-Wei Zhu et al.
TOXICOLOGICAL SCIENCES (2017)
Discriminating modes of toxic action in mice using toxicity in BALB/c mouse fibroblast (3T3) cells
Tao Huang et al.
CHEMOSPHERE (2017)
Unraveling the different toxic effect of flufenoxuron on the thyroid endocrine system of the Mongolia racerunner (Eremias Argus) at different stages
Jing Chang et al.
CHEMOSPHERE (2017)
Epigenetic transgenerational inheritance
Michael K. Skinner
NATURE REVIEWS ENDOCRINOLOGY (2016)
PubChem Substance and Compound databases
Sunghwan Kim et al.
NUCLEIC ACIDS RESEARCH (2016)
Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugs
Adrian Whitty et al.
DRUG DISCOVERY TODAY (2016)
Taking the Human Out of the Loop: A Review of Bayesian Optimization
Bobak Shahriari et al.
PROCEEDINGS OF THE IEEE (2016)
Comparing Oversampling Techniques to Handle the Class Imbalance Problem: A Customer Churn Prediction Case Study
Adnan Amin et al.
IEEE ACCESS (2016)
Predictive Toxicology: Modeling Chemical Induced Toxicological Response Combining Circular Fingerprints with Random Forest and Support Vector Machine
Alexios Koutsoukas et al.
FRONTIERS IN ENVIRONMENTAL SCIENCE (2016)
Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Chemicals and Drugs
Ruili Huang et al.
FRONTIERS IN ENVIRONMENTAL SCIENCE (2016)
Learning from imbalanced data: open challenges and future directions
Bartosz Krawczyk
PROGRESS IN ARTIFICIAL INTELLIGENCE (2016)
Cocrystals of Hydrochlorothiazide: Solubility and Diffusion/Permeability Enhancements through Drug-Coformer Interactions
Palash Sanphui et al.
MOLECULAR PHARMACEUTICS (2015)
Coupling different methods for overcoming the class imbalance problem
Loris Nanni et al.
NEUROCOMPUTING (2015)
Prediction of Compounds Activity in Nuclear Receptor Signaling and Stress Pathway Assays Using Machine Learning Algorithms and Low-Dimensional Molecular Descriptors
Flip Stefaniak
FRONTIERS IN ENVIRONMENTAL SCIENCE (2015)
Vertical distribution in soil column and dissipation in soil of benzoylurea insecticides diflubenzuron, flufenoxuron and novaluron and effect on the bacterial community
Yu-Ling Hsiao et al.
CHEMOSPHERE (2013)
Improving the Human Hazard Characterization of Chemicals: A Tox21 Update
Raymond R. Tice et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2013)
Linear and nonlinear relationships between biodegradation potential and molecular descriptors/fragments for organic pollutants and a theoretical interpretation
Jia He et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2013)
Mutations that silence constitutive signaling activity in the allosteric ligand-binding site of the thyrotropin receptor
Ann-Karin Haas et al.
CELLULAR AND MOLECULAR LIFE SCIENCES (2011)
A Comparative Study on the Constitutive Properties of Marketed Pesticides
Gefei Hao et al.
MOLECULAR INFORMATICS (2011)
CLASSIFICATION OF IMBALANCED DATA: A REVIEW
Yanmin Sun et al.
INTERNATIONAL JOURNAL OF PATTERN RECOGNITION AND ARTIFICIAL INTELLIGENCE (2009)
Toxicology - Transforming environmental health protection
Francis S. Collins et al.
SCIENCE (2008)
Transcriptional responses in thyroid tissues from rats treated with a tumorigenic and a non-tumorigenic triazole conazole fungicide
Susan D. Hester et al.
TOXICOLOGY AND APPLIED PHARMACOLOGY (2008)
Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody
Jane Sanders et al.
THYROID (2007)
The chemical interpretation and practice of linear solvation energy relationships in chromatography
Mark Vitha et al.
JOURNAL OF CHROMATOGRAPHY A (2006)
FAF-Drugs: free ADME/tox filtering of compound collections
Maria A. Miteva et al.
NUCLEIC ACIDS RESEARCH (2006)
Toxicity profiles in rats treated with tumorigenic and nontumorigenic triazole conazole fungicides: Propiconazole, triadimefon, and myclobutanil
Douglas C. Wolf et al.
TOXICOLOGIC PATHOLOGY (2006)
Analysis of the thyrotropin receptor-thyrotropin interaction by comparative modeling
RN Miguel et al.
THYROID (2004)
Long-term hormonal regulation of the cAMP-specific phosphodiesterases in cultured FRTL-5 thyroid cells
SI Takahashi et al.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH (2001)
Evaluation of liposome-water partitioning of organic acids and bases. 2. Comparison of experimental determination methods
BI Escher et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2000)
Short term feedback regulation of cAMP in FRTL-5 thyroid cells - Role of PDE4D3 phosphodiesterase activation
N Oki et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2000)
Share Paper
