[Rdkit-discuss] 3D pharmacophore-based screening
Open-Source Cheminformatics and Machine Learning
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From: PAWAN K. <paw...@jn...> - 2019-02-19 13:49:42
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I am new to rdkit package and want to use the rdkit functionality to screen the chemical database using 3D pharmacophore features. I have pharmacophore features with inter-feature distances and coordinate information. Will you please provide me some demo example regarding that so that I can use this for my set of compounds. -- ~thanks and regard PAWAN KUMAR |