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the fate of foreign compounds in biological systems
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RESEARCH ARTICLE

Predicting routes of phase I and II metabolism based on quantum mechanics and machine learning

Mario ÖerenOptibrium Limited, Cambridge Innovation Park, Denny End Road, CambridgeCB25 9GL, UKCorrespondence[email protected]
,
Peter A. HuntOptibrium Limited, Cambridge Innovation Park, Denny End Road, CambridgeCB25 9GL, UK
,
Charlotte E. WharrickOptibrium Limited, Cambridge Innovation Park, Denny End Road, CambridgeCB25 9GL, UK
,
Hamed Tabatabaei GhomiOptibrium Limited, Cambridge Innovation Park, Denny End Road, CambridgeCB25 9GL, UK
&
Matthew D. SegallOptibrium Limited, Cambridge Innovation Park, Denny End Road, CambridgeCB25 9GL, UK
Received 08 Aug 2023, Accepted 13 Nov 2023, Accepted author version posted online: 15 Nov 2023
Accepted author version

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