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chembl-downloader

cthoyt /chembl-downloader

Write reproducible code for getting and processing ChEMBL

python machine-learning bioinformatics toxicology cheminformatics reproducible-research pharmacology chemometrics chembl chemogenomics proteochemometrics

UpdatedFeb 20, 2025
Jupyter Notebook

shapiromatron /hawc

Health Assessment Workspace Collaborative, a content management system for systematic reviews

python django toxicology risk-assessment human-health-assessment

UpdatedMar 17, 2025
Python

enanomapper /ontologies

The eNanoMapper ontology

toxicology ontology web-ontology-language nanotechnology

UpdatedMar 10, 2025
Python

open-AIMS /bayesnec

Bayesian No-Effect-Concentration estimation in R

toxicology bayesian-inference ecotoxicology concentration-response no-effect-concentration threshold-derivation non-linear-decay

UpdatedSep 9, 2024
R

toxpiR

ToxPi /toxpiR

toxpiR R package for the Toxicological Priority Index (ToxPi) algorithm.

data-science r toxicology modeling r-package

UpdatedDec 11, 2024
R

i-shah /ml-organ-tox

Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data

machine-learning bioinformatics mongodb toxicology cheminformatics

UpdatedFeb 7, 2017
Jupyter Notebook

phuse-org /toxSummary

R Shiny App to Visualize and Summarize Repeat-Dose Toxicology Study Results

visualization toxicology r-shiny-app cdisc-send

UpdatedSep 26, 2024
R

asancpt /caffsim

R package for simulation of caffeine concentration <doi:10.12793/tcp.2017.25.3.141>.https://asancpt.github.io/caffsim

medicine toxicology monte-carlo-simulation caffeine pharmacometrics pharmacokinetics

UpdatedAug 26, 2020
R

IWP_Reborn

CIRAIG /IWP_Reborn

The rebirth of IMPACT World+ in a fully automated and transparent fashion.

database toxicology environmental-modelling carbon-footprint eutrophication ecotoxicology water-footprint life-cycle-assessment impact-assessment pollutants acidification

UpdatedDec 5, 2024
Python

InSilicoVida-Research-Lab /AOPWiki_Explorer

A query engine to retrive information from AOP wiki graph database.

nlp neo4j toxicology risk-assessment adverse-outcome-pathways

UpdatedMay 31, 2024
Jupyter Notebook

elixir-europe /toxicology-community

Repository to coordinate the work of the Toxicology Community.

elixir toxicology

UpdatedSep 20, 2023

evanfloden /nf-toxomix

OpenRiskNet pipeline for TGX case study: toxicology predictions based on transcriptomic profiles

bioinformatics rna-seq nextflow toxicology

UpdatedFeb 4, 2019
Groovy

barupal /exposome

The Blood Exposome Database

text-mining toxicology metabolomics exposome

UpdatedSep 12, 2020
R

Yousuf28 /Awesome-SEND

links related to SEND/Nonclinical toxicology

toxicology fda send cdisc toxicity nonclinical

UpdatedJan 21, 2025
HTML

andresilvapimentel /SARAlerts

SARAlerts is a code to generate structural alerts (toxic alerts) using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from Tox21, Clintox, and Sider datasets.

machine-learning toxicology interpretable-machine-learning adverse-drug-reaction structural-alerts toxic-alerts

UpdatedDec 22, 2023
Jupyter Notebook

ANDA

EskelandLab /ANDA

ANDA: An open-source tool for automated image analysis of in vitro neuronal cells

image analysis fiji toxicology neuronal imaging differentiation neurites cellbodies

UpdatedOct 3, 2023
Python

USEPA /BMDS-UI

U.S. EPA Benchmark Dose Modeling Software User Interface (BMDS Desktop and BMDS Online)

toxicology ord dose-response risk-assesment

UpdatedMar 18, 2025
CSS

andresilvapimentel /bbbp-explainer

BBBP Explainer is a code to generate structural alerts of blood-brain barrier penetrating and non-penetrating drugs using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from BBBP dataset.

machine-learning toxicology interpretable-machine-learning explainable-machine-learning blood-brain-barrier structural-alerts

UpdatedApr 4, 2024
Jupyter Notebook

bioclipse /bioclipse.opentox

OpenTox functionality for Bioclipse.

toxicology bioclipse opentox blueobelisk

UpdatedApr 8, 2017
Java

legacy-repo /biomedgps-studio

[Frontend] A knowledge graph system with graph neural network for drug discovery, disease mechanism and biomarker screening.

frontend toxicology knowledge-graph drug-discovery drug-repurposing graph-visualization graph-neural-network disease-mechanisms omics-data-analysis

UpdatedMar 4, 2024
TypeScript

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