What should i use to align molecule for QSAR?

28 June 2024 1 7K Report

I have molecules with different groups. Some are bis chalcones, some are Dicoumarins, etc. How do I align them in Sybyl software if I can't select any common template?

Ricardo J Ferreira

you have an open-source tool - Open3DAlign - that does that for you. It tests all molecules as templates for aligning and provides you the score for the best alignment.

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