| scholarly article | Q13442814 |
| P50 | author | Andrea Morger | Q86834181 |
| Robert Landsiedel | Q88172378 | ||
| Miriam Mathea | Q91531123 | ||
| Janosch Achenbach | Q102054956 | ||
| Klaus-Juergen Schleifer | Q102054957 | ||
| Andrea Volkamer | Q50731316 | ||
| P2093 | author name string | Antje Wolf | |
| Roland Buesen | |||
| P2860 | cites work | Computational methods for prediction of in vitro effects of new chemical structures | Q27902263 |
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| ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology | Q28025527 | ||
| A predictive data-driven framework for endocrine prioritization: a triazole fungicide case study | Q28828276 | ||
| Extended-connectivity fingerprints | Q29616639 | ||
| Integrating Publicly Available Data to Generate Computationally Predicted Adverse Outcome Pathways for Fatty Liver | Q31047871 | ||
| Evaluation of OASIS QSAR Models Using ToxCast™ in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach. | Q31092045 | ||
| Lessons learnt from assembling screening libraries for drug discovery for neglected diseases | Q33309109 | ||
| Development of a common carp (Cyprinus carpio) pregnane X receptor (cPXR) transactivation reporter assay and its activation by azole fungicides and pharmaceutical chemicals. | Q33835410 | ||
| ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions | Q34372798 | ||
| Ah receptor- and TCDD-mediated liver tumor promotion: clonal selection and expansion of cells evading growth arrest and apoptosis | Q36109328 | ||
| Predicting the Rate of Skin Penetration Using an Aggregated Conformal Prediction Framework. | Q36320792 | ||
| Role of CAR and PXR in xenobiotic sensing and metabolism | Q36672089 | ||
| QSAR models for reproductive toxicity and endocrine disruption in regulatory use--a preliminary investigation | Q37023724 | ||
| Computational toxicology--a state of the science mini review | Q37027100 | ||
| Multidimensional in vivo hazard assessment using zebrafish | Q37412007 | ||
| Effects of triazole fungicides on androgenic disruption and CYP3A4 enzyme activity. | Q51238176 | ||
| Read-across for hazard assessment: the ugly duckling is growing up. | Q51313722 | ||
| Epoxide and thiirane toxicity in vitro with the ciliates Tetrahymena pyriformis: structural alerts indicating excess toxicity. | Q51595892 | ||
| In house validation of recombinant yeast estrogen and androgen receptor agonist and antagonist screening assays | Q51622362 | ||
| eMolTox: prediction of molecular toxicity with confidence. | Q52664629 | ||
| ProTox-II: a webserver for the prediction of toxicity of chemicals. | Q52803587 | ||
| DeepTox: Toxicity Prediction using Deep Learning | Q55920548 | ||
| QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis | Q56888207 | ||
| Conformal Regression for Quantitative Structure–Activity Relationship Modeling—Quantifying Prediction Uncertainty | Q56913978 | ||
| Modelling compound cytotoxicity using conformal prediction and PubChem HTS data | Q59188873 | ||
| Conformal prediction to define applicability domain – A case study on predicting ER and AR binding | Q59188876 | ||
| The application of conformal prediction to the drug discovery process | Q59188880 | ||
| QSAR Model for Androgen Receptor Antagonism - Data from CHO Cell Reporter Gene Assays | Q60997993 | ||
| Regression Conformal Prediction with Nearest Neighbours | Q62046690 | ||
| Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery | Q62496001 | ||
| CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity | Q89779996 | ||
| In silico identification of protein targets for chemical neurotoxins using ToxCast in vitro data and read-across within the QSAR toolbox | Q90845294 | ||
| Topical ketoconazole: a systematic review of current dermatological applications and future developments | Q91157239 | ||
| Deep Learning-Based Structure-Activity Relationship Modeling for Multi-Category Toxicity Classification: A Case Study of 10K Tox21 Chemicals With High-Throughput Cell-Based Androgen Receptor Bioassay Data | Q92921137 | ||
| Pregnane X receptor mediates steatotic effects of propiconazole and tebuconazole in human liver cell lines | Q93117480 | ||
| Endocrine disruptors and thyroid hormone physiology | Q37632836 | ||
| Nuclear receptor PXR, transcriptional circuits and metabolic relevance | Q37835926 | ||
| Electrophiles and acute toxicity to fish | Q38018241 | ||
| Nongenotoxic carcinogenicity of chemicals: mechanisms of action and early recognition through a new set of structural alerts | Q38087362 | ||
| Predicting organ toxicity using in vitro bioactivity data and chemical structure | Q38646520 | ||
| Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets | Q38719323 | ||
| Evaluation of cytotoxic and genotoxic activity of fungicide formulation Tango® Super in bovine lymphocytes | Q38743797 | ||
| Triazole fungicide tebuconazole disrupts human placental trophoblast cell functions | Q38795940 | ||
| Regulation of PXR and CAR by protein-protein interaction and signaling crosstalk | Q38854079 | ||
| Chemoinformatic Classification Methods and their Applicability Domain | Q38918853 | ||
| Antiandrogenic mechanisms of pesticides in human LNCaP prostate and H295R adrenocortical carcinoma cells. | Q38946999 | ||
| Introducing conformal prediction in predictive modeling for regulatory purposes. A transparent and flexible alternative to applicability domain determination | Q39064441 | ||
| Metabolomics as read-across tool: A case study with phenoxy herbicides. | Q39380501 | ||
| Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information. | Q39770211 | ||
| Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds | Q40172073 | ||
| Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model | Q40843986 | ||
| Predicting hepatotoxicity using ToxCast in vitro bioactivity and chemical structure | Q41387646 | ||
| Thyroid endocrine disruption in zebrafish larvae following exposure to hexaconazole and tebuconazole | Q42711172 | ||
| The hepatocarcinogenic conazoles: cyproconazole, epoxiconazole, and propiconazole induce a common set of toxicological and transcriptional responses | Q42721280 | ||
| Reduced sensitizing capacity of epoxy resin systems: a structure-activity relationship study | Q43282085 | ||
| Bioassay-directed identification of novel antiandrogenic compounds in bile of fish exposed to wastewater effluents | Q43335752 | ||
| Epoxiconazole-induced degeneration in rat placenta and the effects of estradiol supplementation | Q43637092 | ||
| A comprehensive statistical analysis of predicting in vivo hazard using high-throughput in vitro screening | Q44573229 | ||
| Applicability domain: towards a more formal definition. | Q45949531 | ||
| Effects of estrogen coadministration on epoxiconazole toxicity in rats. | Q46319912 | ||
| Species differences in developmental toxicity of epoxiconazole and its relevance to humans | Q46532667 | ||
| Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism | Q46715350 | ||
| Applying Adverse Outcome Pathways (AOPs) to support Integrated Approaches to Testing and Assessment (IATA). | Q46833337 | ||
| New insights into the regulation and function of brain estrogen synthase (aromatase). | Q47924853 | ||
| Bromuconazole-induced hepatotoxicity is accompanied by upregulation of PXR/CYP3A1 and downregulation of CAR/CYP2B1 gene expression | Q48114897 | ||
| Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction | Q48239725 | ||
| Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR. | Q50124574 | ||
| In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts. | Q50420418 | ||
| P4510 | describes a project that uses | scikit-learn | Q1026367 |
| P433 | issue | 1 | |
| P304 | page(s) | 24 | |
| P577 | publication date | 2020-04-14 | |
| P1433 | published in | Journal of Cheminformatics | Q6294930 |
| P1476 | title | KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development | |
| P478 | volume | 12 |
| Q122615591 | Artificial intelligence for natural product drug discovery |
| Q114114408 | Identification of Potential Insect Growth Inhibitor against Aedes aegypti: A Bioinformatics Approach |
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