Research map: Optimizing skin sensitization prediction across activity cliffs: a comparative analysis of K-nearest neighbours vs random Forest
Back to the article
Papers in this map
- Random Forests · Leo Breiman · 2001 · 133269 citations · Cited by this paper
- Oridonin attenuates diclofenac-induced organ damage by suppressing endoplasmic reticulum stress and inflammasome activation · 2026 · Related
- Nearest neighbor pattern classification · Thomas M. Cover · 1967 · 16872 citations · Cited by this paper
- Establishing scientific confidence: human biological relevance of reconstructed human respiratory epithelium (RHRE) for assessing respiratory effects · 2026 · Related
- Scikit-learn: Machine Learning in Python · PedregosaFabian · 2011 · 8540 citations · Cited by this paper
- Epidemiological and clinical analysis of Gelsemium poisoning in Guangxi, Southern China: a decade of surveillance data · 2026 · Related
- Adaptive Control Processes · Richard Bellman · 1961 · 2778 citations · Cited by this paper
- Urinary heavy metal and trace element mixtures in chronic kidney disease: associations and implications for potential reverse causality · 2026 · Related
- When Is “Nearest Neighbor” Meaningful? · Kevin S. Beyer · 1999 · 2350 citations · Cited by this paper
- PFOA/PFOS induce ferroptosis in bladder epithelial cells through inhibition of ACSL4 ubiquitination · 2026 · Related
- QSAR Modeling: Where Have You Been? Where Are You Going To? · Artem R Cherkasov · 2013 · 2185 citations · Cited by this paper
- A comprehensive safety evaluation of approved 2′-fucosyllactose for human nutritional applications in China · 2026 · Related
- DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis · Thomas Sander · 2015 · 1875 citations · Cited by this paper
- Machine learning-integrated network toxicology uncovers glioma targets of DEHP · 2026 · Related
- Atom pairs as molecular features in structure-activity studies: definition and applications · Raymond E. Carhart · 1985 · 1114 citations · Cited by this paper
- Impact of intranasal cigarette smoke exposure on murine peripheral immune responses and lung pathology · 2026 · Related
- The Identification of Contact Allergens by Animal Assay. the Guinea Pig Maximization Test**From the Department of Dermatology, University of Gothenburg, Sahlgrenska Sjukhuset, Gothenburg, Sweden and the Department of Dermatology, University of Pennsylvania School of Medicine, Philadelphia, Pennsylvania 19104. · Bertil Magnusson · 1969 · 929 citations · Cited by this paper
- From sebocytes to skin engineering human sebaceous organoids within a reconstructed dermal matrix · 2026 · Related
- OPERA models for predicting physicochemical properties and environmental fate endpoints · Kamel Mansouri · 2018 · 643 citations · Cited by this paper
- Advancing chemical mixture toxicity assessment using advanced in vitro NAMs: current status and future perspectives · 2026 · Related
- An evaluation of the implementation of the Cramer classification scheme in the Toxtree software · Grace Y. Patlewicz · 2008 · 517 citations · Cited by this paper
- Importance of sample size, data type and prediction method for remote sensing-based estimations of aboveground forest biomass · Fabian Ewald Fassnacht · 2014 · 440 citations · Cited by this paper
- Assessing skin sensitization hazard in mice and men using non-animal test methods · Daniel Urbisch · 2014 · 397 citations · Cited by this paper
- In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening · Jochen Sieg · 2019 · 361 citations · Cited by this paper
- Development of an in vitro skin sensitization test using human cell lines: The human Cell Line Activation Test (h-CLAT) · Takao Ashikaga · 2005 · 343 citations · Cited by this paper
- Exposing the Limitations of Molecular Machine Learning with Activity Cliffs · Derek van Tilborg · 2022 · 297 citations · Cited by this paper
- Allergic Contact Dermatitis––Formation, Structural Requirements, and Reactivity of Skin Sensitizers · Ann‐Therése Karlberg · 2007 · 283 citations · Cited by this paper
- QSAR − How Good Is It in Practice? Comparison of Descriptor Sets on an Unbiased Cross Section of Corporate Data Sets · Peter Gedeck · 2006 · 241 citations · Cited by this paper
- Interpretation of Quantitative Structure–Activity Relationship Models: Past, Present, and Future · Павел Геннадьевич Полищук · 2017 · 239 citations · Cited by this paper
- A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity · Steven J. Enoch · 2011 · 217 citations · Cited by this paper
- Non-animal methods to predict skin sensitization (II): an assessment of defined approaches · Nicole Kleinstreuer · 2018 · 206 citations · Cited by this paper
- New approach methodologies (NAMs): identifying and overcoming hurdles to accelerated adoption · Fiona R. Sewell · 2024 · 204 citations · Cited by this paper
- Evolving Concept of Activity Cliffs · Dagmar Stumpfe · 2019 · 194 citations · Cited by this paper
- Integrated testing strategies (ITS) for safety assessment · Costanza Rovida · 2014 · 178 citations · Cited by this paper
- Data Set Modelability by QSAR · Alexander Golbraikh · 2013 · 155 citations · Cited by this paper
- The derivation of quantitative correlations between skin sensitisation and physio-chemical parameters for alkylating agents, and their application to experimental data for sultones · David W. Roberts · 1982 · 154 citations · Cited by this paper
- A chemical dataset for evaluation of alternative approaches to skin‐sensitization testing · G. Frank Gerberick · 2004 · 151 citations · Cited by this paper
- Count-Based Morgan Fingerprint: A More Efficient and Interpretable Molecular Representation in Developing Machine Learning-Based Predictive Regression Models for Water Contaminants’ Activities and Properties · Shifa Zhong · 2023 · 151 citations · Cited by this paper
- Concepts and applications of chemical fingerprint for hit and lead screening · Jingbo Yang · 2022 · 140 citations · Cited by this paper
Source: OpenAlex (CC0)