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All posts dated June 14, 2020

Mordred_MRC_Descriptors in Python – Part 5

Posted on June 14, 2020November 18, 2020Author ZinPosted in Cheminformatics

This is the last of the five-part series tutorial of the blog post, Computing Molecular Descriptors – Intro, in the context of drug discovery. The goal of this post to explain the python code on creating new descriptors such as MRC (developed in MacrolactoneDB study) and using Mordred descriptors. What are MRC descriptors? MRC descriptors were…

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