Pinned Repositories
breast_tissue_modeling
Set of script used to model the breast tissues and its exposition for carcinogen
cardiotox_hERG
Scripts used to process assay results targeting hERG
chemmaps-InterPred-Bodymap
chemmaps_data-process
Suite of scripts used to mining data for chemmaps
CompDESC
Scripts to compute ligand molecular descriptors.
interferences
Sources used to analysis and develop the QSAR model for chemical interference project in the Tox21
MDQSAR-imatinib
Scripts used to build the dataset used for the MD QSAR analysis.
RealityConvert
Tox21BodyMap
Scripts used to create the Tox21BodyMap dataset
ToxCastLib
Library python to load, parse and work on the ToxCast from the inVitro DB
ABorrel's Repositories
ABorrel/RealityConvert
ABorrel/MDQSAR-imatinib
Scripts used to build the dataset used for the MD QSAR analysis.
ABorrel/CompDESC
Scripts to compute ligand molecular descriptors.
ABorrel/chemmaps-InterPred-Bodymap
ABorrel/interferences
Sources used to analysis and develop the QSAR model for chemical interference project in the Tox21
ABorrel/cardiotox_hERG
Scripts used to process assay results targeting hERG
ABorrel/Tox21BodyMap
Scripts used to create the Tox21BodyMap dataset
ABorrel/ToxCastLib
Library python to load, parse and work on the ToxCast from the inVitro DB
ABorrel/breast_tissue_modeling
Set of script used to model the breast tissues and its exposition for carcinogen
ABorrel/chemmaps_data-process
Suite of scripts used to mining data for chemmaps
ABorrel/conformal-prediction
Lightweight, useful implementation of conformal prediction on real data.
ABorrel/CPDatSSI
Scripts used to find exposure from CPDat database
ABorrel/cytotox
ABorrel/DeepCarc
ABorrel/DeepDILI
ABorrel/git_test2
Descriptrion here
ABorrel/LSRs
Computational workflow to mine the PDB for local structural replacements
ABorrel/pdb
ABorrel/QSAR-fluoroquinolones
Scripts used to model fluoroquinolones compounds from the ChEMBL
ABorrel/QSAR-QSPR
R scripts to generate QSAR-QSPR models
ABorrel/saltbridges
ABorrel/StructuralAnalysisE2upP4up
ABorrel/sysrev
sysrev
ABorrel/tuto_git
This is a example of github project