Sci Show: New molecular generation algorithm, based on transformer architecture creates highly focused molecular libraries. A new benchmark is introduced and when applied to Vitamin D analogs (VDA), this method was able to recreate 13% of all known VDAs in the database from scratch.

Tuesday, August 3, 2021

New molecular generation algorithm, based on transformer architecture creates highly focused molecular libraries. A new benchmark is introduced and when applied to Vitamin D analogs (VDA), this method was able to recreate 13% of all known VDAs in the database from scratch.

https://ift.tt/2VfdxdC via /r/science https://ift.tt/3rNYOCx

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