Research graph
References from Artificial Intelligence and Machine Learning in Fragrance Safety Assessment: Current Applications and Future Opportunities at RIFM. Local targets link to admitted publications; unresolved targets remain external evidence.
Machine learning methods for endocrine disrupting potential identification based on single-cell data
10.1016/j.ces.2023.119086 · 2023 · External reference
A multiple-path model of particle deposition in the rat lung
10.1006/faat.1995.1144 · 1995 · External reference
Skin sensitization: Reaction mechanistic applicability domains for structure–activity relationships
10.1021/tx050075m · 2005 · External reference
Predictive modeling for carcinogenicity using random forest-based QSAR
2018 · External reference
Computational prediction of phototoxicity: Current tools and future directions
2024 · External reference
admetSAR: A comprehensive source and free tool for assessment of chemical ADMET properties
10.1021/ci300367a · 2013 · External reference
Novel machine learning models to predict endocrine disruption activity for high-throughput chemical screening
10.3389/ftox.2022.981928 · 2022 · External reference
Integrating habits and practices data for soaps, cosmetics, and air care products into an aggregate exposure model
2015 · External reference
Integrating habits and practices data for soaps, cosmetics and air care products into an existing aggregate exposure model
10.1016/j.yrtph.2017.05.017 · 2017 · External reference
The predictivity of QSARs for toxicity: Recommendations for improving model performance
10.1016/j.comtox.2024.100338 · 2025 · External reference
The EDKB: An established knowledge base for endocrine-disrupting chemicals
10.1186/1471-2105-11-s6-s5 · 2010 · External reference
ToxMCP: Guardrailed, auditable agentic workflows for computational toxicology via the Model Context Protocol
2026 · External reference
FAIR models in toxicology: Principles, implementation and regulatory relevance
2025 · External reference
Unresolved reference
External reference
Deep learning in drug discovery
10.1002/minf.201501008 · 2016 · External reference
The good, the bad, and the perplexing: Structural alerts and read-across for predicting skin sensitization using human data
10.1021/acs.chemrestox.2c00383 · 2023 · External reference
Artificial intelligence as the new frontier in chemical risk assessment
10.3389/frai.2023.1269932 · 2023 · External reference
Tox21Challenge to build predictive models of nuclear receptor and stress response pathways as mediated by exposure to environmental chemicals and drugs
10.3389/fenvs.2015.00085 · 2016 · External reference
The first eNanoMapper ontology-based data model and database for engineered nanomaterials
2021 · External reference
Incorporating Singaporean habits and practices for cosmetics and personal care products into a global consumer aggregate exposure model
10.1016/j.yrtph.2024.105752 · 2025 · External reference
Exploratory data analysis by the self-organizing map: Structures of welfare and poverty in the world and in Finland
1996 · External reference
Artificial intelligence (AI)—It’s the end of the tox as we know it (and I feel fine)
10.1007/s00204-023-03666-2 · 2024 · External reference
Classifying and segmenting microscopy images with deep neural networks
2017 · External reference
Large language models and their applications in drug discovery and development: A primer
10.1111/cts.70205 · 2025 · External reference
CERAPP: Collaborative estrogen receptor activity prediction project
10.1289/ehp.1510267 · 2016 · External reference
Improvements and additions to the Multiple Path Particle Dosimetry model
10.1016/j.jaerosci.2016.01.018 · 2016 · External reference
Test No. 498: In Vitro Phototoxicity — Reconstructed Human Epidermis Phototoxicity Test Method
2019 · External reference
Practical guidance for implementing FAIR principles in computational toxicology model repositories
2025 · External reference
JPlogP: An improved logP predictor trained using predicted data
10.1186/s13321-018-0316-5 · 2018 · External reference
Use of an aggregate exposure model to estimate consumer exposure to fragrance ingredients in personal care and cosmetic products
10.1016/j.yrtph.2015.05.017 · 2015 · External reference
Application of the expanded Creme RIFM consumer exposure model to fragrance ingredients in cosmetic, personal care and air care products
10.1016/j.yrtph.2017.02.021 · 2017 · External reference
Corrigendum to "Use of an aggregate exposure model to estimate consumer exposure to fragrance ingredients in personal care and cosmetic products"
10.1016/j.yrtph.2023.105545 · 2024 · External reference
10.1021/acs.chemrestox.5c00033
10.1021/acs.chemrestox.5c00033 · External reference
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection
10.1021/ci800151m · 2008 · External reference
Improving the human hazard characterization of chemicals: A Tox21 update
10.1289/ehp.1205784 · 2013 · External reference
10.1002/9783527628766
10.1002/9783527628766 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
The FAIR guiding principles for scientific data management and stewardship
10.1038/sdata.2016.18 · 2016 · External reference
Structure and the absorption spectra of α,β-unsaturated ketones
10.1021/ja01849a066 · 1941 · External reference
LD50 toxicity prediction using backpropagation neural networks and molecular descriptors
2017 · External reference
