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Some of the scripts developed in Pharmacelera S.L. for my Master Thesis (Parametrization of atom-types LogP-based hydrophobic descriptors for virtual screening). The project was developed within the framework of Pharmacelera S.L. intelecutal property (IP), so only a short representation of the scripts developed can be uploaded to this publicly a…

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Masters Thesis IP-free scripts (drug discovery, ligand-based virtual screening)

Some of the scripts developed in Pharmacelera S.L. for my MSc Thesis Parametrization of atom-types LogP-based hydrophobic descriptors for virtual screening. The project was developed within the framework of Pharmacelera S.L. intelecutal property (IP), so only a short representation of the scripts developed can be uploaded to this publicly available repository.

The scripts TFM_Script1.py, TFM_Script2.py and TFM_Script3.py were utilized in the parametrization stage of the project.

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Some of the scripts developed in Pharmacelera S.L. for my Master Thesis (Parametrization of atom-types LogP-based hydrophobic descriptors for virtual screening). The project was developed within the framework of Pharmacelera S.L. intelecutal property (IP), so only a short representation of the scripts developed can be uploaded to this publicly a…

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