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Simple scripts for the automation of long series of virtual screenings and databases preparation: Rocs -> Eon and Fliter-> Flipper-> Omega

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OpenEye

Simple scripts created to improve my studies in python and facilitate my researches of virtual drug screening in long series of studies.

I present two interesting pipelines which are intended for the study of similarity in shape and electrostatic potential (ROCS and EON) and another for the automation of several databases in sequence.

Rocs -> Eon

Fliter-> Flipper-> Omega

These scripts are independent and not linked to the OpenEye company. As mentioned, I created just to improve my studies in Python, as I found it interesting and helps me to share.

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Simple scripts for the automation of long series of virtual screenings and databases preparation: Rocs -> Eon and Fliter-> Flipper-> Omega

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