toxicology

There are 4 repositories under toxicology topic.

chembl-downloader
cthoyt / chembl-downloader
Write reproducible code for getting and processing ChEMBL
reproducible-research chembl python cheminformatics toxicology chemogenomics chemometrics pharmacology proteochemometrics bioinformatics machine-learning
Language:Jupyter Notebook 73
shapiromatron / hawc
Health Assessment Workspace Collaborative, a content management system for systematic reviews
django human-health-assessment python risk-assessment toxicology
Language:Python 21
enanomapper / ontologies
The eNanoMapper ontology
web-ontology-language ontology toxicology nanotechnology
Language:Python 18
open-AIMS / bayesnec
Bayesian No-Effect-Concentration estimation in R
concentration-response no-effect-concentration threshold-derivation ecotoxicology toxicology non-linear-decay bayesian-inference
Language:R 13
toxpiR
ToxPi / toxpiR
toxpiR R package for the Toxicological Priority Index (ToxPi) algorithm.
data-science modeling r r-package toxicology
Language:R 11
i-shah / ml-organ-tox
Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data
machine-learning toxicology mongodb cheminformatics bioinformatics
Language:Jupyter Notebook 10
asancpt / caffsim
R package for simulation of caffeine concentration <doi:10.12793/tcp.2017.25.3.141>. https://asancpt.github.io/caffsim
pharmacometrics monte-carlo-simulation medicine caffeine toxicology pharmacokinetics
Language:R 9
phuse-org / toxSummary
R Shiny App to Visualize and Summarize Repeat-Dose Toxicology Study Results
r-shiny-app toxicology visualization cdisc-send
Language:R 9
IWP_Reborn
CIRAIG / IWP_Reborn
The rebirth of IMPACT World+ in a fully automated and transparent fashion.
acidification carbon-footprint database ecotoxicology eutrophication impact-assessment life-cycle-assessment pollutants toxicology water-footprint environmental-modelling
Language:Python 8
InSilicoVida-Research-Lab / AOPWiki_Explorer
A query engine to retrive information from AOP wiki graph database.
adverse-outcome-pathways neo4j nlp risk-assessment toxicology
Language:Jupyter Notebook 7
elixir-europe / toxicology-community
Repository to coordinate the work of the Toxicology Community.
toxicology elixir
6
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.
adverse-drug-reaction interpretable-machine-learning machine-learning toxicology structural-alerts toxic-alerts
Language:Jupyter Notebook 5
barupal / exposome
The Blood Exposome Database
exposome metabolomics text-mining toxicology
Language:R 5
evanfloden / nf-toxomix
OpenRiskNet pipeline for TGX case study: toxicology predictions based on transcriptomic profiles
nextflow toxicology bioinformatics rna-seq
Language:Groovy 5
Yousuf28 / Awesome-SEND
links related to SEND/Nonclinical toxicology
fda send toxicity toxicology nonclinical cdisc
Language:HTML 5
ANDA
EskelandLab / ANDA
ANDA: An open-source tool for automated image analysis of in vitro neuronal cells
analysis differentiation fiji image imaging neurites neuronal cellbodies toxicology
Language:Python 4
akokai / commongroups
Molecular structure-based classification of chemicals in known hazard groups
chemistry database science toxicology
Language:Python 3
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.
blood-brain-barrier explainable-machine-learning interpretable-machine-learning machine-learning structural-alerts toxicology
Language:Jupyter Notebook 3
benjaminhlina / ecotox
Analysis of Ecotoxicology
dose-response-modeling probit logit toxicology biology
Language:R 3
bioclipse / bioclipse.opentox
OpenTox functionality for Bioclipse.
bioclipse blueobelisk opentox toxicology
Language:Java 3
legacy-repo / biomedgps-studio
[Frontend] A knowledge graph system with graph neural network for drug discovery, disease mechanism and biomarker screening.
graph-neural-network graph-visualization knowledge-graph disease-mechanisms drug-discovery drug-repurposing omics-data-analysis toxicology frontend
Language:TypeScript 3
RubenVG02 / BioInsectiNet
This Python project uses neural networks and genetic algorithms to design bioinsecticide compounds targeting specific proteins. By leveraging IC50 values from FASTA sequences, it generates and optimizes SMILES representations, enhancing the efficacy and specificity of bioinsecticides.
bioinformatics genetic-algorithm insecticide machine-learning-algorithms ai bioinformatics-tool cheminformatics computational-biology deep-learning drug-discovery fasta molecular-design neural-networks python3 pytorch smiles toxicology bioinsecticides
Language:Python 3
USEPA / BMDS-UI
U.S. EPA Benchmark Dose Modeling Software User Interface (BMDS Desktop and BMDS Online)
dose-response ord risk-assesment toxicology
Language:CSS 3
andresilvapimentel / endocrine-disruption-explainer
Endocrine Disruption Explainer is a code to generate structural alerts of endocrine disruption of chemcial compounds using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from TOX-21, EDC, and EDKB-FDA datasets.
endocrine-disruptor explainable-artificial-intelligence interpretable-machine-learning machine-learning structural-alerts toxic-alerts toxicology
Language:Jupyter Notebook 2
cthoyt / cthoyt.github.io
My personal website, served at https://cthoyt.com
biological-expression-language machine-learning knowledge-graphs knowledge-graph-embeddings drug-discovery drug-repurposing target-prioritization target-validation biocuration ontologies bioinformatics cheminformatics toxicology wikidata obofoundry deep-learning proteochemometrics utterances drug-synergy artificial-intelligence
Language:HTML 2
eurotox-2023-aitox-cec / course-materials
workshop materials for "A hands-on introduction to applied artificial intelligence in toxicology"
ai education machine-learning toxicology
Language:Jupyter Notebook 2
i-shah / livertox-crt-2015
Data and code for rodent hepatotoxicity prediction
machine-learning toxicology python jupyter hts cheminformatics
Language:Jupyter Notebook 2
ideaconsult / ambit-docker
Run the AMBIT services on Docker
ambit cheminformatics toxicology nanoinformatics prediction docker enanomapper database container containerization
Language:Shell 2
pydrc
Mr-Mathias-F / pydrc
A Python module for analysis and visualization of dose-response data
dose-response-modeling enzyme-kinetics matplotlib-pyplot pharmacology python seaborn toxicology
Language:Python 2
shapiromatron / tblBuilder
A meteor-based table-building application for epidemiology, and mechanistic data used in the human-health assessment of chemicals.
data-extraction epidemiology human-health-assessment meteor toxicology
Language:JavaScript 2
andresilvapimentel / mutagen-explainer
Mutagen Explainer is a code to generate structural alerts of mutagenicity of chemcial compounds using Local Interpretable Model-Agnostic Explanations (LIME) of machine learning models from Bursi and Hansen Ames mutagenicity datasets.
explainable-artificial-intelligence interpretable-machine-learning machine-learning mutagenicity structural-alerts toxic-alerts toxicology
Language:Jupyter Notebook 1
biobricks-ai / adrecs
An adverse drug reaction (ADR) is described by the World Health Organization (WHO) as a 'response to a medicine which is noxious and unintended, and which occurs at doses normally used in man
brick toxicology
Language:Dockerfile 1
joycebyang / SMaRt
SMaRt: A Toxicity Classification System through SMILES and Multimodal Representation to Cross-check Hazardous Chemicals
computer-vision nlp toxicology
Language:Python 1
ontox-project / xploreaop
The public version of the 'XploreAOP' Shiny application to interactively visualize AOP Networks
aop network shiny toxicology visualization
Language:HTML 1
StyrbjornKall / TRIDENT_application
Source code for the web application associated with "Transformers enable accurate prediction of acute and chronic chemical toxicity in aquatic organisms".
deep-neural-networks ecotoxicology toxicology transformers
Language:Python 1
yjcyxky / rapex
RAPEX - Response to Air Pollution EXposure
clojure disease-mechanisms knowledge-graph omics-data-analysis reactjs toxicology
Language:Clojure 1

toxicology

cthoyt / chembl-downloader

shapiromatron / hawc

enanomapper / ontologies

open-AIMS / bayesnec

ToxPi / toxpiR

i-shah / ml-organ-tox

asancpt / caffsim

phuse-org / toxSummary

CIRAIG / IWP_Reborn

InSilicoVida-Research-Lab / AOPWiki_Explorer

elixir-europe / toxicology-community

andresilvapimentel / SARAlerts

barupal / exposome

evanfloden / nf-toxomix

Yousuf28 / Awesome-SEND

EskelandLab / ANDA

akokai / commongroups

andresilvapimentel / bbbp-explainer

benjaminhlina / ecotox

bioclipse / bioclipse.opentox

legacy-repo / biomedgps-studio

RubenVG02 / BioInsectiNet

USEPA / BMDS-UI

andresilvapimentel / endocrine-disruption-explainer

cthoyt / cthoyt.github.io

eurotox-2023-aitox-cec / course-materials

i-shah / livertox-crt-2015

ideaconsult / ambit-docker

Mr-Mathias-F / pydrc

shapiromatron / tblBuilder

andresilvapimentel / mutagen-explainer

biobricks-ai / adrecs

joycebyang / SMaRt

ontox-project / xploreaop

StyrbjornKall / TRIDENT_application

yjcyxky / rapex