Check out our latest preprint in @chemrxiv.org (doi.org/10.26434/che...), a collaboration with the Kaji lab, on high-performance solution-processed #oleds. @standrewschem.bsky.social @standrewsosc.bsky.social
We're pleased to share this preprint on @chemrxiv.org
Towards Foundation Models Trained from Crystal Structure Prediction of the Organic Molecular Solid State
40+ million predicted crystal structures + accurate ML potentials for organic molecular crystals
chemrxiv.org/doi/full/10....
1/10
Some of our collaborative work with Phil Miller and @basf.bsky.social studying the mechanism of the photocatalysed aminocarbonylation of aryl halides is now out as a @chemrxiv.org preprint. Huge effort from Rowan Bailey to understand and improve this reaction. chemrxiv.org/doi/full/10.....
Check out our new preprint in @chemrxiv.org . Long time coming and interesting nexus of fields and experts for plant protein interfacial agent discovery. @foodscileeds.bsky.social
Check out our latest in @chemrxiv.org (dx.doi.org/10.26434/che...), a collaborative effort with @braeselab.bsky.social, Andy Monkman and Anna Painelli groups on the effect of nitrogen substitution and bridging unit on D-A #TADF photophysics. @standrewschem.bsky.social @standrewsosc.bsky.social
Docking results show that stability is driven by geometric convergence inside the pore, not just the number of interactions.
A geometric perspective on VGSC blockade.
@chemrxiv.org
How Tetrodotoxin Blocks Sodium Channels: A Docking and Geometric Perspective | ChemRxiv chemrxiv.org/doi/full/10....
Hi Martin - the platform change means that a new account is required, but if you reach out to the support team (support@chemrxiv.org) they'll make sure that your new account is linked to all your preprints.
This is the second installment of a review that reexamines drug discovery from the perspective of bioinformatics.
@chemrxiv.org
Review of a Withdrawn Drug Candidate: Indiplon | ChemRxiv chemrxiv.org/doi/full/10....
This paper uses bioinformatics to reexamine the disappearance of drugs in drug discovery.
@chemrxiv.org
Review of a Withdrawn Drug Candidate: Adipiplon | ChemRxiv chemrxiv.org/doi/full/10....
Hi Simon - it's high up on our list of features to add on the new platform. We'll announce when it's up and running!
Excited to share our @chemrxiv.org preprint on metabolically active living materials #MALMs with physciochemical biocontainmentπ§΅
Why do we need #MALMs?
Because as @economist.com posits additive manufacturing is potentially a better way to make drinks and drugs
We argue #MALMs are the key for it
MOPEG, a new PEG-based polymer gel crossliked by MOP, shows macroscale deformation by coordinative guest recognition!! The idea from our former postdoc, Tomoki @tomokitateishi.bsky.social, finally appeared on @chemrxiv.org!!
chemrxiv.org/doi/full/10....
Check out our latest in @chemrxiv.org (doi.org/10.26434/che...), where we highlight the use of BINAP motifs to modulate the photophysics of hashtag#mrtadf emitters. @st-andrewschem.bsky.social @standrewsosc.bsky.social
Additive Manufacturing of Metabolically Active Living Materials with Physicochemical Biocontainment @chemrxiv.org
#ELMs #livingmaterials #MALM
chemrxiv.org/doi/full/10....
New work from the group online on @chemrxiv.org! We describe how Lewis Acid-Coupled Electron Transfer enables COβ reductive disproportionation with a very mild reductant. The mechanism implies Cp* non-innocence towards COβ, highly unusual. Bravo LΓ©on for this nice study!
chemrxiv.org/doi/full/10....
Hi Nick - it's on our list of features to add now that the new site is live. Stay tuned and we'll announce when it's back up and running.
Check out our latest in @chemrxiv.org
(doi.org/10.26434/che...), where we highlight VOC sensing using coumarin #tadf emitters.
@standrewschem.bsky.social @standrewsosc.bsky.social
Hi Julien - I believe our support team has been in touch with you. We'll be investigating this and will keep you informed.
This is a cool one! We realize that thermally-initiated solid-state reactions are driven by terahertz phonons. Love how straightforward and clean this story is - the paper basically wrote itself! Much more soon! @urochester.bsky.social @chemrxiv.org
chemrxiv.org/doi/full/10....
How to make the smallest house?
Have a look a the last preprint at @chemrxiv.org of Clement Tanguy @vladyslavsmyrnov.bsky.social and Matthew Wodrich on the diastereoselective synthesis of housanes via the carbocupration of cyclopropenes!
chemrxiv.org/doi/full/10....
We have a new @chemrxiv.org preprint out describing the first silicon containing spiropentane and its rearrangement to a cyclobutane. chemrxiv.org/doi/full/10..... Congrats to @upwinder.bsky.social and @benedekstdlr.bsky.social
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The new ChemRxiv website is now live! Come and check out the new platform at chemrxiv.org
Today on @chemrxiv.org, we disclose a C-to-N replacement that actually works complex natural products - a pipe-dream when we started. The secret is to lean in to the triplet nitrene.
Congrats Dong Il, and thanks to the whole team, including collaborators from Sanofi!
chemrxiv.org/engage/chemr...
Weβre moving! ChemRxiv is closed for new submissions until January 21 while we transfer to a new platform. Find out more here: connect.acspubs.org/chemrxiv-mig...
We combine ML + #DigitalTwins to autonomously design photoreactors with high light capture and uniform irradiation. A virtual photoreactor guides #BayesianOptimization, allowing numerous designs in silico and fabrication only of the best candidates.
π @chemrxiv.org : chemrxiv.org/engage/chemr...
π We report a radical disconnection strategy that enables the direct, single-step conversion of Ξ±-amino acids into differentiated vicinal diamines via photocatalytic decarboxylation.
Broad scope, functional-group tolerant, and scalable in flow.
π @chemrxiv.org: chemrxiv.org/engage/chemr...
Our first preprint of 2026 is out in @chemrxiv.org (doi.org/10.26434/che...), and it highlights the rational design of a potent, strongly photoreducing, and high triplet energy Ir #photocatalyst that can be excited in the visible. @st-andrewschem.bsky.social @standrewsosc.bsky.social
Identifying Phase Transitions in Zeolitic Imidazolate Frameworks: Microscopic Insight from Molecular Simulations, our latest #compchem work on ZIF polymorphism #chemsky @chemrxiv.org doi.org/10.26434/che...
ChemRxiv will be closed to new submissions from January 14-20 while we migrate to our new platform. Find out more here: connect.acspubs.org/chemrxiv-mig...
