kmansouri Goto Github PK
Name: Kamel Mansouri
Type: User
Bio: - Computational Chemistry/Toxicology - Cheminformatics and data mining - QSAR/QSPR and ADME-Tox properties modeling [orcid:0000-0002-6426-8036]
Location: RTP, NC, USA
Kamel Mansouri's Projects
knime-workflow-base
KNIME base image to build a Docker image for KNIME workflows using de.NBI/CIBI nodes.
ms-ready
Standardization workflow for MS-ready chemical structures pretreatment. See "release" tab for the latest version and sample files!
opera
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
qsar-ready
Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!
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