On the public citation graph
Integrated Decision Support for Assessing Chemical Liabilities
0 signed · 63 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/em.2860070613openalex-snapshot
Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity
inferredcites →https://doi.org/10.1016/j.ddtec.2004.11.002openalex-snapshot
In silico prediction of drug safety: despite progress there is abundant room for improvement
inferredcites →https://doi.org/10.1016/j.taap.2009.08.022openalex-snapshot
In silico toxicology for the pharmaceutical sciences☆
inferredcites →https://doi.org/10.1016/s0027-5107(00)00064-6openalex-snapshot
The Ames Salmonella/microsome mutagenicity assay
inferredcites →https://doi.org/10.1016/s0027-5107(01)00289-5openalex-snapshot
Distributed structure-searchable toxicity (DSSTox) public database network: a proposal
inferredcites →https://doi.org/10.1016/s0027-5107(98)00068-2openalex-snapshot
Structure-based methods for predicting mutagenicity and carcinogenicity: are we there yet?
inferredcites →https://doi.org/10.1021/ar50020a002openalex-snapshot
Quantitative approach to biochemical structure-activity relationships
inferredcites →https://doi.org/10.1021/ci00025a004openalex-snapshot
Molecular Similarity and Estimation of Molecular Properties
inferredcites →https://doi.org/10.1021/ci020345wopenalex-snapshot
The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci025584yopenalex-snapshot
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.1021/ci0341823openalex-snapshot
The Signature Molecular Descriptor. 4. Canonizing Molecules Using Extended Valence Sequences
inferredcites →https://doi.org/10.1021/ci7004498openalex-snapshot
Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
inferredcites →https://doi.org/10.1021/ci9002206openalex-snapshot
Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data
inferredcites →https://doi.org/10.1021/ci900221ropenalex-snapshot
A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data
inferredcites →https://doi.org/10.1021/jm040835aopenalex-snapshot
Derivation and Validation of Toxicophores for Mutagenicity Prediction
inferredcites →https://doi.org/10.1023/a:1025361621494openalex-snapshot
In silico prediction of drug toxicity
inferredcites →https://doi.org/10.1038/nbt1110-1181openalex-snapshot
In silico research in the era of cloud computing
inferredcites →https://doi.org/10.1038/nrd1032openalex-snapshot
ADMET in silico modelling: towards prediction paradise?
inferredcites →https://doi.org/10.1038/nrd3078openalex-snapshot
How to improve R&D productivity: the pharmaceutical industry's grand challenge
inferredcites →https://doi.org/10.1039/b502828kopenalex-snapshot
Enhancement of the chemical semantic web through the use of InChI identifiers
inferredcites →https://doi.org/10.1080/02763860802198895openalex-snapshot
CPDB: Carcinogenic Potency Database
inferredcites →https://doi.org/10.1093/nar/gkj067openalex-snapshot
DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1146/annurev.pharmtox.43.100901.135828openalex-snapshot
Activation of the Aryl Hydrocarbon Receptor by Structurally Diverse Exogenous and Endogenous Chemicals
inferredcites →https://doi.org/10.1186/1471-2105-10-279openalex-snapshot
XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services
inferredcites →https://doi.org/10.1186/1471-2105-10-397openalex-snapshot
Bioclipse 2: A scriptable integration platform for the life sciences
inferredcites →https://doi.org/10.1186/1471-2105-8-59openalex-snapshot
Bioclipse: an open source workbench for chemo- and bioinformatics
inferredcites →https://doi.org/10.2174/138161206777585274openalex-snapshot
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.2217/14622416.8.11.1521openalex-snapshot
Literature-Based Compound Profiling: Application to Toxicogenomics
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/ardp.201700234openalex-snapshot
Design, synthesis, in silico and antiproliferative evaluation of novel pyrazole derivatives as VEGFR‐2 inhibitors
inferred← citeshttps://doi.org/10.1002/minf.201100142openalex-snapshot
Benchmarking Variable Selection in QSAR
inferred← citeshttps://doi.org/10.1007/978-3-319-17091-6_27openalex-snapshot
Interpretation of Conformal Prediction Classification Models
inferred← citeshttps://doi.org/10.1007/s10472-017-9550-1openalex-snapshot
Current application of conformal prediction in drug discovery
inferred← citeshttps://doi.org/10.1007/s10822-015-9854-3openalex-snapshot
Many InChIs and quite some feat
inferred← citeshttps://doi.org/10.1016/b978-0-12-396461-8.00008-7openalex-snapshot
Computational Translation and Integration of Test Data to Meet Risk Assessment Goals
inferred← citeshttps://doi.org/10.1016/b978-0-444-63683-6.00011-3openalex-snapshot
The Signature Molecular Descriptor in Molecular Design
inferred← citeshttps://doi.org/10.1016/j.comcom.2011.11.015openalex-snapshot
Personal Health System architecture for stress monitoring and support to clinical decisions
inferred← citeshttps://doi.org/10.1016/j.xphs.2020.09.055openalex-snapshot
Predicting With Confidence: Using Conformal Prediction in Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci500344vopenalex-snapshot
Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines
inferred← citeshttps://doi.org/10.1021/ci500361uopenalex-snapshot
Ligand-Based Target Prediction with Signature Fingerprints
inferred← citeshttps://doi.org/10.1021/ci500580yopenalex-snapshot
Scaling Predictive Modeling in Drug Development with Cloud Computing
inferred← citeshttps://doi.org/10.1038/nrd4128openalex-snapshot
Chemical predictive modelling to improve compound quality
inferred← citeshttps://doi.org/10.1093/bioinformatics/bts681openalex-snapshot
Bioclipse-R: integrating management and visualization of life science data with statistical analysis
inferred← citeshttps://doi.org/10.1093/bioinformatics/btt325openalex-snapshot
WhichCyp: prediction of cytochromes P450 inhibition
inferred← citeshttps://doi.org/10.1109/cloudcom.2013.99openalex-snapshot
Using Iterative MapReduce for Parallel Virtual Screening
inferred← citeshttps://doi.org/10.1186/1756-0500-4-487openalex-snapshot
Computational toxicology using the OpenTox application programming interface and Bioclipse
inferred← citeshttps://doi.org/10.1186/1758-2946-5-14openalex-snapshot
Applications of the InChI in cheminformatics with the CDK and Bioclipse
inferred← citeshttps://doi.org/10.1186/1758-2946-5-23openalex-snapshot
The ChEMBL database as linked open data
inferred← citeshttps://doi.org/10.1186/s13321-016-0132-8openalex-snapshot
Collaborative decision support and documentation in chemical safety with KnowSEC
inferred← citeshttps://doi.org/10.1186/s13321-016-0151-5openalex-snapshot
Large-scale ligand-based predictive modelling using support vector machines
inferred← citeshttps://doi.org/10.1186/s13321-017-0220-4openalex-snapshot
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
inferred← citeshttps://doi.org/10.1186/s13321-018-0271-1openalex-snapshot
A confidence predictor for logD using conformal regression and a support-vector machine
inferred← citeshttps://doi.org/10.1186/s13321-018-0304-9openalex-snapshot
Evaluating parameters for ligand-based modeling with random forest on sparse data sets
inferred← citeshttps://doi.org/10.1201/b15319-12openalex-snapshot
Descriptive animal toxicology tests
inferred← citeshttps://doi.org/10.1371/journal.pone.0066566openalex-snapshot
A Unified Proteochemometric Model for Prediction of Inhibition of Cytochrome P450 Isoforms
inferred← citeshttps://doi.org/10.14573/altex.2012.2.139openalex-snapshot
Toxicology ontology perspectives
inferred← citeshttps://doi.org/10.1533/9781908818249.35openalex-snapshot
Interactive predictive toxicology with Bioclipse and OpenTox
inferred← citeshttps://doi.org/10.17179/excli2016-103openalex-snapshot
Design, synthesis, in silico toxicity prediction, molecular docking, and evaluation of novel pyrazole derivatives as potential antiproliferative agents
inferred← citeshttps://doi.org/10.2174/1568026611212180005openalex-snapshot
Open Source Drug Discovery with Bioclipse
inferred← citeshttps://doi.org/10.4155/fmc-2016-0070openalex-snapshot
Automatically Updating Predictive Modeling Workflows Support Decision-Making in Drug Design
inferred← citeshttps://doi.org/10.5281/zenodo.165324openalex-snapshot
FIGURE 14 in Hidden diversity in deep-water bandfishes: review of Owstonia with descriptions of twenty-one new species (Teleostei: Cepolidae: Owstoniinae)
inferred← citeshttps://doi.org/10.64898/2026.02.06.703989openalex-snapshot
ToxMCP: Guardrailed, Auditable Agentic Workflows for Computational Toxicology via the Model Context Protocol
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.