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LeadScope: Software for Exploring Large Sets of Screening Data
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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QSAR: Hansch analysis and related approaches
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Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds
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inferred← citeshttps://doi.org/10.1371/journal.pone.0213848openalex-snapshot
QSAR modelling of a large imbalanced aryl hydrocarbon activation dataset by rational and random sampling and screening of 80,086 REACH pre-registered and/or registered substances
inferred← citeshttps://doi.org/10.14573/altex.1906261openalex-snapshot
Developing context appropriate toxicity testing approaches using new alternative methods (NAMs)
inferred← citeshttps://doi.org/10.1517/17425250903499286openalex-snapshot
A structural feature-based computational approach for toxicology predictions
inferred← citeshttps://doi.org/10.17615/g3gq-9f55openalex-snapshot
Classifier Design to Improve Pattern Classification and Knowledge Discovery for Imbalanced Datasets
inferred← citeshttps://doi.org/10.2131/jts.37.13openalex-snapshot
3,5-Dibenzyloxy-4'-hydroxystilbene induces early caspase-9 activation during apoptosis in human K562 chronic myelogenous leukemia cells
inferred← citeshttps://doi.org/10.2147/ijhts.s7534openalex-snapshot
Computational characterization of SAR microenvironments in high-throughput screening data
inferred← citeshttps://doi.org/10.23889/suthesis.59193openalex-snapshot
Application of Benchmark Dose Analysis to in vitro Genotoxicity Data for Compound Risk Characterisation
inferred← citeshttps://doi.org/10.3389/fchem.2023.1292027openalex-snapshot
Cheminformatics and artificial intelligence for accelerating agrochemical discovery
inferred← citeshttps://doi.org/10.3389/fphar.2022.1040838openalex-snapshot
Development of QSAR models to predict blood-brain barrier permeability
inferred← citeshttps://doi.org/10.3389/fphar.2024.1451164openalex-snapshot
Novel (Q)SAR models for prediction of reversible and time-dependent inhibition of cytochrome P450 enzymes
inferred← citeshttps://doi.org/10.3389/ftox.2022.981928openalex-snapshot
Novel machine learning models to predict endocrine disruption activity for high-throughput chemical screening
inferred← citeshttps://doi.org/10.3390/biom8030085openalex-snapshot
Predicting Aromatic Amine Mutagenicity with Confidence: A Case Study Using Conformal Prediction
inferred← citeshttps://doi.org/10.48550/arxiv.1908.03569openalex-snapshot
Concepts and Applications of Conformal Prediction in Computational Drug Discovery
inferred← citeshttps://doi.org/10.7324/japs.2024.154854openalex-snapshot
In silico approaches which are used in pharmacy
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