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Computational Tools to Facilitate Early Warning of New Emerging Risk Chemicals.
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- Toxics, 2024, v. 12, n. 10, p. 736, doi. 10.3390/toxics12100736
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- Publication type:
- Article
Prediction of Endocrine-Disrupting Chemicals Related to Estrogen, Androgen, and Thyroid Hormone (EAT) Modalities Using Transcriptomics Data and Machine Learning.
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- Toxics, 2024, v. 12, n. 8, p. 541, doi. 10.3390/toxics12080541
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- Publication type:
- Article
Application of artificial intelligence to decode the relationships between smell, olfactory receptors and small molecules.
- Published in:
- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-23176-y
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- Article
ChemProt-2.0: visual navigation in a disease chemical biology database.
- Published in:
- Nucleic Acids Research, 2013, v. 41, p. D464, doi. 10.1093/nar/gks1166
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- Publication type:
- Article
ChemProt: a disease chemical biology database.
- Published in:
- Nucleic Acids Research, 2011, v. 39, n. suppl_1, p. D367, doi. 10.1093/nar/gkq906
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- Publication type:
- Article
Design of Novispirin Antimicrobial Peptides by Quantitative Structure–Activity Relationship.
- Published in:
- Chemical Biology & Drug Design, 2006, v. 68, n. 1, p. 48, doi. 10.1111/j.1747-0285.2006.00405.x
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- Publication type:
- Article
The short-term prognosis of diabetic foot ulceration is independent of nutritional status at admission.
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- Journal of Wound Care, 2023, v. 32, n. 5, p. 312, doi. 10.12968/jowc.2023.32.5.312
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- Publication type:
- Article
Pulmonary administration of remdesivir in the treatment of COVID-19.
- Published in:
- 2020
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- Publication type:
- Letter
Identification of Odorant-Receptor Interactions by Global Mapping of the Human Odorome.
- Published in:
- PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0093037
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- Publication type:
- Article
A Steered Molecular Dynamics Study of Binding and Translocation Processes in the GABA Transporter.
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- PLoS ONE, 2012, v. 7, n. 6, p. 1, doi. 10.1371/journal.pone.0039360
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- Publication type:
- Article
Prediction of adverse drug reactions due to genetic predisposition using deep neural networks.
- Published in:
- Molecular Informatics, 2024, v. 43, n. 6, p. 1, doi. 10.1002/minf.202400021
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- Publication type:
- Article
Drug‐target‐ADR Network and Possible Implications of Structural Variants in Adverse Events.
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- Molecular Informatics, 2020, v. 39, n. 12, p. 1, doi. 10.1002/minf.202000116
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- Publication type:
- Article
Network-based Approaches in Pharmacology.
- Published in:
- Molecular Informatics, 2017, v. 36, n. 10, p. n/a, doi. 10.1002/minf.201700048
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- Publication type:
- Article
Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 2/3, p. 100, doi. 10.1002/minf.201100023
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- Publication type:
- Article
ChemProt-3.0: a global chemical biology diseases mapping.
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- Database: The Journal of Biological Databases & Curation, 2016, v. 2016, p. 1, doi. 10.1093/database/bav123
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- Publication type:
- Article
Smell compounds classification using UMAP to increase knowledge of odors and molecular structures linkages.
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- PLoS ONE, 2021, v. 16, n. 5, p. 1, doi. 10.1371/journal.pone.0252486
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- Publication type:
- Article
Solid-Phase Synthesis and Biological Evaluation of N-Dipeptido L-Homoserine Lactones as Quorum Sensing Activators.
- Published in:
- ChemBioChem, 2014, v. 15, n. 3, p. 460, doi. 10.1002/cbic.201300533
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- Publication type:
- Article
Deciphering Diseases and Biological Targets for Environmental Chemicals using Toxicogenomics Networks.
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- PLoS Computational Biology, 2010, v. 6, n. 5, p. 1, doi. 10.1371/journal.pcbi.1000788
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- Publication type:
- Article
Cellular Uptake and Intracellular Phosphorylation of GS-441524: Implications for Its Effectiveness against COVID-19.
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- Viruses (1999-4915), 2021, v. 13, n. 7, p. 1369, doi. 10.3390/v13071369
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- Publication type:
- Article
Xenobiotic Exposure and Migraine-Associated Signaling: A Multimethod Experimental Study Exploring Cellular Assays in Combination with Ex Vivo and In Vivo Mouse Models.
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- Environmental Health Perspectives, 2023, v. 131, n. 11, p. 117003-1, doi. 10.1289/EHP12413
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- Publication type:
- Article
Of possible cheminformatics futures.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 107, doi. 10.1007/s10822-011-9535-9
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- Publication type:
- Article
Plectasin is a peptide antibiotic with therapeutic potential from a saprophytic fungus.
- Published in:
- Nature, 2005, v. 437, n. 7061, p. 975, doi. 10.1038/nature04051
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- Publication type:
- Article
Investigating the impact of missense mutations in hCES1 by in silico structure-based approaches.
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- Drug Metabolism & Personalized Therapy, 2016, v. 31, n. 2, p. 97, doi. 10.1515/dmpt-2015-0034
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- Publication type:
- Article
Pharmacometabolomics Informs About Pharmacokinetic Profile of Methylphenidate.
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- CPT: Pharmacometrics & Systems Pharmacology, 2018, v. 7, n. 8, p. 525, doi. 10.1002/psp4.12309
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- Publication type:
- Article
Analysis of Time-Series Gene Expression Data to Explore Mechanisms of Chemical-Induced Hepatic Steatosis Toxicity.
- Published in:
- Frontiers in Genetics, 2018, p. N.PAG, doi. 10.3389/fgene.2018.00396
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- Publication type:
- Article
Synthesis and biological evaluation of dihydropyrano-[2,3-c]pyrazoles as a new class of PPARγ partial agonists.
- Published in:
- PLoS ONE, 2017, v. 12, n. 2, p. 1, doi. 10.1371/journal.pone.0162642
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- Publication type:
- Article
Human Environmental Disease Network: A Computational Model to Assess Toxicology of Contaminants.
- Published in:
- Altex, 2017, v. 34, n. 2, p. 289, doi. 10.14573/altex.1607201
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- Publication type:
- Article
Assessing network-based methods in the context of system toxicology.
- Published in:
- Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1225697
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- Publication type:
- Article
Pred-O3, a web server to predict molecules, olfactory receptors and odor relationships.
- Published in:
- Nucleic Acids Research, 2024, v. 52, n. W1, p. W507, doi. 10.1093/nar/gkae305
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- Publication type:
- Article
Development of a chemogenomics library for phenotypic screening.
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- Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00569-1
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- Publication type:
- Article
Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1.
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- Molecules, 2019, v. 24, n. 15, p. 2747, doi. 10.3390/molecules24152747
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- Article
Computational study of coagulation factor VIIa’s affinity for phospholipid membranes.
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- European Biophysics Journal, 2007, v. 36, n. 2, p. 133, doi. 10.1007/s00249-006-0114-2
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- Publication type:
- Article
Identification of LasR Ligands through a Virtual Screening Approach.
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- ChemMedChem, 2013, v. 8, n. 1, p. 157, doi. 10.1002/cmdc.201200434
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- Publication type:
- Article
sAOP: linking chemical stressors to adverse outcomes pathway networks.
- Published in:
- Bioinformatics, 2019, v. 35, n. 24, p. 5391, doi. 10.1093/bioinformatics/btz570
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- Publication type:
- Article
HExpoChem: a systems biology resource to explore human exposure to chemicals.
- Published in:
- Bioinformatics, 2013, v. 29, n. 9, p. 1231, doi. 10.1093/bioinformatics/btt112
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- Publication type:
- Article
Evolution of substrate recognition sites (SRSs) in cytochromes P450 from Apiaceae exemplified by the CYP71AJ subfamily.
- Published in:
- BMC Evolutionary Biology, 2015, v. 15, n. 1, p. 1, doi. 10.1186/s12862-015-0396-z
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- Publication type:
- Article
Evolution of substrate recognition sites (SRSs) in cytochromes P450 from Apiaceae exemplified by the CYP71AJ subfamily
- Published in:
- BMC Evolutionary Biology, 2015, v. 15, n. 1, p. 122, doi. 10.1186/s12862-015-0396-z
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- Publication type:
- Article