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Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening.
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- Journal of Computer-Aided Molecular Design, 2007, v. 21, n. 5, p. 251, doi. 10.1007/s10822-007-9112-4
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- Article
Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 2, p. 83, doi. 10.1007/s10822-006-9038-2
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- Publication type:
- Article
Development of Deep Learning Models for Predicting the Effects of Exposure to Engineered Nanomaterials on Daphnia magna.
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- Small, 2020, v. 16, n. 36, p. 1, doi. 10.1002/smll.202001080
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- Article
Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors—In Vitro, In Silico and QSAR Studies.
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- Molecules, 2020, v. 25, n. 17, p. 3989, doi. 10.3390/molecules25173989
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- Article
Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials.
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- Scientific Data, 2021, v. 8, n. 1, p. 1, doi. 10.1038/s41597-021-00808-y
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- Article
In Vitro Toxicological Insights from the Biomedical Applications of Iron Carbide Nanoparticles in Tumor Theranostics: A Systematic Review and Meta-Analysis.
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- Nanomaterials (2079-4991), 2024, v. 14, n. 9, p. 734, doi. 10.3390/nano14090734
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- Article
An In Vitro Dosimetry Tool for the Numerical Transport Modeling of Engineered Nanomaterials Powered by the Enalos RiskGONE Cloud Platform.
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- Nanomaterials (2079-4991), 2022, v. 12, n. 22, p. 3935, doi. 10.3390/nano12223935
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- Article
Editorial for the Special Issue From Nanoinformatics to Nanomaterials Risk Assessment and Governance.
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- 2021
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- Publication type:
- Editorial
Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 10, p. 2033, doi. 10.3390/nano10102033
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- Article
Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 10, p. 2017, doi. 10.3390/nano10102017
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- Article
Transcriptomics in Toxicogenomics, Part II: Preprocessing and Differential Expression Analysis for High Quality Data.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 5, p. 903, doi. 10.3390/nano10050903
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- Publication type:
- Article
Transcriptomics in Toxicogenomics, Part I: Experimental Design, Technologies, Publicly Available Data, and Regulatory Aspects.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 4, p. 750, doi. 10.3390/nano10040750
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- Article
Transcriptomics in Toxicogenomics, Part III: Data Modelling for Risk Assessment.
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- Nanomaterials (2079-4991), 2020, v. 10, n. 4, p. 708, doi. 10.3390/nano10040708
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- Article
Collaborative development of predictive toxicology applications.
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- Journal of Cheminformatics, 2010, v. 2, n. 1, p. 1, doi. 10.1186/1758-2946-2-7
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- Publication type:
- Article
Zeta‐Potential Read‐Across Model Utilizing Nanodescriptors Extracted via the NanoXtract Image Analysis Tool Available on the Enalos Nanoinformatics Cloud Platform.
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- Small, 2020, v. 16, n. 21, p. 1, doi. 10.1002/smll.201906588
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- Article
Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculations.
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- Molecules, 2011, v. 16, n. 1, p. 384, doi. 10.3390/molecules16010384
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- Article
In Silico Exploration for Identifying Structure-Activity Relationship of MEK Inhibition and Oral Bioavailability for Isothiazole Derivatives.
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- Chemical Biology & Drug Design, 2010, v. 76, n. 5, p. 397, doi. 10.1111/j.1747-0285.2010.01029.x
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- Publication type:
- Article
Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL).
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- PLoS Computational Biology, 2017, v. 13, n. 4, p. 1, doi. 10.1371/journal.pcbi.1005372
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- Article
In Silico Discovery of Plant-Origin Natural Product Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL).
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- Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.00800
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- Article
European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials.
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- Journal of Cheminformatics, 2022, v. 14, n. 1, p. 1, doi. 10.1186/s13321-022-00614-7
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- Publication type:
- Article
A novel QSPR model for predicting ? (lower critical solution temperature) in polymer solutions using molecular descriptors.
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- Journal of Molecular Modeling, 2007, v. 13, n. 1, p. 55
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- Article
Consensus Predictive Model for Human K562 Cell Growth Inhibition through Enalos Cloud Platform.
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- ChemMedChem, 2018, v. 13, n. 6, p. 555, doi. 10.1002/cmdc.201700675
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- Article
Advances in De Novo Drug Design: From Conventional to Machine Learning Methods.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 4, p. 1676, doi. 10.3390/ijms22041676
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- Article
Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 19, p. 7002, doi. 10.3390/ijms21197002
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- Publication type:
- Article
Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 3, p. 703, doi. 10.3390/ijms21030703
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- Article
Systematic Review of Naturally Derived Substances That Act as Inhibitors of the Nicotine Metabolizing Enzyme Cytochrome P450 2A6.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 15, p. 8031, doi. 10.3390/ijms25158031
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- Article
Development of a Robust Read-Across Model for the Prediction of Biological Potency of Novel Peroxisome Proliferator-Activated Receptor Delta Agonists.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 10, p. 5216, doi. 10.3390/ijms25105216
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- Article
Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 21, p. 15894, doi. 10.3390/ijms242115894
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- Article
A Systematic Review of Deep Learning Methodologies Used in the Drug Discovery Process with Emphasis on In Vivo Validation.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6573, doi. 10.3390/ijms24076573
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- Article
In Silico Identification and Evaluation of Natural Products as Potential Tumor Necrosis Factor Function Inhibitors Using Advanced Enalos Asclepios KNIME Nodes.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 19, p. 10220, doi. 10.3390/ijms221910220
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- Article