assistant professor at Princeton University interested in biological and chemical datahttps://bsky.app/profile/skinnider.bsky.socialhttps://bsky.app/profile/skinnider.bsky.social/post/3mqoyshdh7c2pWe have updated our preprint with a benchmark of 17 methods for structural annotation of MS/MS spectra: https://www.biorxiv.org/content/10.64898/2026.05.03.722532v2.abstract [contains quote post or other embedded content]15 Jul 2026 15:08 +0000at://did:plc:bf3xonigxko6t3llv2hflvdd/app.bsky.feed.post/3mqoyshdh7c2phttps://bsky.app/profile/skinnider.bsky.social/post/3mlbbrdzmjs2yWe have identified what we believe to be a critical issue in the way that computational methods for structural annotation of small molecule MS/MS spectra have historically been evaluated. Fortunately, there is a solution: https://www.biorxiv.org/content/10.64898/2026.05.03.722532v107 May 2026 13:05 +0000at://did:plc:bf3xonigxko6t3llv2hflvdd/app.bsky.feed.post/3mlbbrdzmjs2yhttps://bsky.app/profile/skinnider.bsky.social/post/3milxlwe66c2wVery happy to share our latest efforts to map the mammalian metabolome, in which we combine large-scale in vivo isotope tracing with biochemical AI to discover several structurally unprecedented and biologically fascinating metabolites: https://www.biorxiv.org/content/10.64898/2026.03.31.713900v103 Apr 2026 14:47 +0000at://did:plc:bf3xonigxko6t3llv2hflvdd/app.bsky.feed.post/3milxlwe66c2whttps://bsky.app/profile/skinnider.bsky.social/post/3lbcrglbcfc2eThrilled to share our approach for language model-guided discovery of unknown mammalian metabolites: DeepMet. We’ve now used this approach to discover ~50 new human and mouse metabolites! https://www.biorxiv.org/content/10.1101/2024.11.13.623458v119 Nov 2024 15:40 +0000at://did:plc:bf3xonigxko6t3llv2hflvdd/app.bsky.feed.post/3lbcrglbcfc2ehttps://bsky.app/profile/skinnider.bsky.social/post/3kotixmbkup2pVery happy to share this work testing a widespread assumption in chemical AI and showing that invalid SMILES are a feature, not a bug: https://www.nature.com/articles/s42256-024-00821-x29 Mar 2024 12:25 +0000at://did:plc:bf3xonigxko6t3llv2hflvdd/app.bsky.feed.post/3kotixmbkup2phttps://bsky.app/profile/skinnider.bsky.social/post/3kglqux7yqx24Very happy to share our latest work on harmonizing raw mass spectrometry data from >21,000 proteomic experiments to enable meta-analyses of protein interactions and phosphorylation at the largest scale yet: https://www.nature.com/articles/s41467-023-44139-515 Dec 2023 15:04 +0000at://did:plc:bf3xonigxko6t3llv2hflvdd/app.bsky.feed.post/3kglqux7yqx24