Pinned Repositories
Data_curation
Python code for handling data curation: SMILES of problematic molecules, dataset selection, train and test split.
eTOXlab
flame
Modeling framework for eTRANSAFE project
flame_API
Backend flame web service
Hepatoxicity-SysBio
Itex_codes
Codes used to generate the DB and replicate USC workflow
PaDEL-descriptor-ws
PaDEL ws descriptors engine
phitools
RDTExtractorWeb
TOXTRUST
Dempster-Shafer Theory based python tool for processing toxicological evidence pieces, combining them to a single result, and estimating their uncertainties.
Phi GRIB's Repositories
phi-grib/PaDEL-descriptor-ws
PaDEL ws descriptors engine
phi-grib/eTOXlab
phi-grib/Hepatoxicity-SysBio
phi-grib/scatter-mol
A bokeh interactive scatter plot with custom hoover tool showing molecular info and structure
phi-grib/AngularRDTExtractor
phi-grib/Collector
Collector is a tool that allows extracting from the Open PHACTS Discovery platform series of compounds annotated with experimental data that can be used directly for building QSAR predictive models
phi-grib/etox-rdt-extraction-tool
eTOX RDT extraction tool
phi-grib/eTOX-vault-ws
eTOXvault ws RESTful API
phi-grib/eTOXlabWS
eTOXlab web service
phi-grib/eTOXlabWS-API
eTOXlab web service RESTful API
phi-grib/FourFould-Qualitative-Analysis
phi-grib/Hepatotoxicity-SysBio-DataExtraction
phi-grib/padel_etransafe_ws
This repo holds the REST API code to compute PaDEL descriptors and the Dockerfile especifications.
phi-grib/RDTextractor
Repeat-dose toxicity findings extraction tool
phi-grib/Scoring
This software is used to post-process eTOX database extractions, like those produced by the FIMIM Extraction tools, and produce a QSAR like table, assigning to individual compounds an score representing a certain toxicity endpoint. This score is built by combining the LOEL of a set of findings that the end user must provide as input and which are frequently present in compound positive for this toxicity endpoint. The tool produces the scores in standard tabular formats. In addition a simple graphic generation tool is also included in the package, mainly for debugging purposes.
phi-grib/similarity
Retrieving similars using morgan finger prints
phi-grib/test_travisCI
just a test repository to test and practice Travis CI functionalities and Python testing packages