Jerome Moore

Jerome Moore

@robotnose.bsky.social

Chemist + Materials Scientist near Chicago. Researching new ways to measure scent, understand cognition of taste and smell, measure the quality of air and food and add olfaction to robotic systems. Additive manufacturing + mass spec expertise.

317 followers332 following716 posts

Taking an electron from a molecule (M->M+) can cause it to shatter like it was hit by a hammer. This is one useful way to identify things, by looking at the pieces of many shattered Ms. But it can be a hard puzzle. This team found a fast way to solve such puzzles.

Kermit Murray@kkmurray.bsky.social

(ChemRxiv) Fragment-Grounded Neural Simulation of Electron Ionization Mass Spectra at Library Scale: Electron ionization mass spectrometry (EI-MS) is a sensitive analytical technique, yet compound identification conventionally relies on reference libraries that contain spectra for at… #MassSpecRSS

dlvr.itFragment-Grounded Neural Simulation of Electron Ionization Mass Spectra at Library ScaleElectron ionization mass spectrometry (EI-MS) is a sensitive analytical technique, yet compound identification conventionally relies on reference libraries that contain spectra for at most about one million compounds, which is a small subset of chemical space. In silico prediction of EI-MS spectra can extend these libraries, but existing data-driven models generalize poorly beyond their training distribution, and physics-based simulations are too costly for library-scale use. Here, we present a fragment-grounded neural workflow that predicts an EI-MS spectrum by exhaustively enumerating the fragmentation graph of a molecule and then assigning intensities to the resulting substructures with a model trained on experimental spectra. By relating every predicted peak back to a candidate substructure, our model generalizes more reliably to unseen scaffolds and out-of-distribution chemistry than prior fingerprint- and black-box transformer-based predictors. On a scaffold split, it identifies the correct structure among up to fifty same-formula isomers in 43.0% of cases, compared to 32.5% for the strongest baseline. Further, it matches the accuracy of quantum-chemical simulation while being roughly seven orders of magnitude faster. To test the model's capabilities under a harder, formula-agnostic setting, we further evaluate retrieval against a library of 87.3 million compounds from PubChem. There, our model achieves a top-1 accuracy of 3.3%, compared to 1.1% for the strongest baseline, and a peak-mass-window filter further raises its top-1 accuracy to 5.3%. The predicted spectra for 87.3 million compounds serve as an augmented reference library to facilitate database-dependent structure elucidation.

With all of the changes to internet functionality, I'm glad that the feature of clicking on a product photo to make it very slightly larger has persisted for 30+ years. It would be jarring if it actually became useful.

An enjoyable read. The author, Rachel Handler, did a quick interview about the piece on Marketplace yesterday. I'm compelled to say though: eat good chocolate. Hershey products are just not good, they never were, and they're not even that cheap now.

Absolutely true. It was so bad, the 2nd hand smoke and the residue on clothes, in motel rooms, theaters... In grad school, my car broke down and I got a ride from a guy whose floorboards were covered in discarded cigarette packs. His ashtray was a sphere of stubbed-out butts.

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Jerome Moore reposted

Replying to @phdhurtbrain.bsky.social

College libraries were filled, I mean wall-to-wall, with great smelling books. You could walk amongst them for an hour without hearing a sound like a comfy little ghost.

I doubt introspection can be learned. It seems to be a big problem with a lot of "leaders" today: they don't look inward or do any sort of metacognition.

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It's so nice to be able to choose precisely when to be sick for a day or two.

Katie Mack@astrokatie.com

The weird/cool thing about vaccine side effects is how (for me at least) they vanish entirely within 36 hours. It FEELS like responding to a pathogen but it’s 100% immune system, 0% pathogen. So when the pathogen isn't actually there, my body can just be like "oh never mind" & turn the sickness off.

Only stock person at a craft store. Beat out two others who couldn't do the math worksheet. Manager gradually shifted the duties to janitorial, which wasn't mentioned during hiring. I would leave covered in thick dust, wet shoes. Saturday I told him he wouldn't see me Monday, or ever again.

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10 years of foul odors, finally a suit filed and still 2 months for a court order to stop. Near 100th and Torrance in Chicago.

Jerome Moore reposted

Replying to @mehr.nz

if you work in science and are looking for a designer to help with illustrations and/or websites, highly recommend Sabine Deviche devichedesigns.com with whom I've collaborated on a number of other papers and projects, eg she illustrated this figure from my recent TICS paper

Jerome Moore reposted

Taking notes helps you to organise your thoughts, which has been shown to air comprehension and later recall *even if you don’t actually look at the notes afterwards*. Using an #AI device to do this for you provides none of those benefits. 🤷 #AIHype #Deskilling #CognitiveScience

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Whole 🧵 is interesting. My corner of science seems to have settled on these tools being good for writing short code (less than a page that you can look at, digest and tweak) and inane for actual software engineering.

rain 🌦️@sunshowers.io

I gave Opus 5.5, considered the best model these days, a medium-sized task. Even after a full adversarial review and simplify loop to convergence, it produced code that worked but was garbage, with limited use of newtypes and representable invalid states everywhere

Again, highly recommended if you're in the Chicago area. If they could teach me, they can teach you! And they have a lot of work on display that's interesting to look at.

Lincoln Square Pottery Studio- Learning Center@lspotterystudio-lc.bsky.social

Now's the time to jump on a wheel throwing workshop- I just posted new ones today! #potterysky #pottery #weekendworkshop #chicagoartevents #chicago #artclass www.comeplaywithclay.com/workshops/p/...

Jerome Moore reposted

Replying to @sonjadrimmer.bsky.social

And for those who are not academics: heaving a pile of papers that haven’t gone through peer review and going “here, you sort this out for us and prove us wrong” isn’t scholarship. It’s a hurricane shitting on an earthquake and demanding the professionals come clean it up.

Whole thread is good, but this post is the core of it. Too many people are making wild claims anthropomorphizing LLMs and related technology. They should be taken even less seriously than people talking about astrology IMO.

Emily M. Bender@emilymbender.bsky.social

Extraordinary claims require extraordinary evidence, and I am not the one making the extraordinary claim, so it is not my job to specify what the evidence should be. >>

I'm noticing more fellow scientists in person openly talking about the issues in this thread. Even people who were uncomfortable with the topic, in the belief that support for science isn't partisan.

Jenna Norton@jenna-m-norton.bsky.social

4 reasons the Trump administration is attacking science. 🧵 This is still one of the most common questions I hear from people - but why!? Isn't science good for everyone?! So, here is my current thinking on why...

Reminded of this article after getting the new mRNA flu shot. Had to ask for it specifically at the pharmacy, and pay a little more, but it feels worthwhile.

Laura Dattaro@ldattaro.bsky.social

I wrote about the new mRNA flu shot that got FDA approval last week, a year after HHS started winding down research funds for...mRNA shots. Thanks @doritreiss.bsky.social for answering my questions about what happens next. For @cenmag.bsky.social's weekly policy brief cen.acs.org/policy/moder...

Obvious to people doing work with cobots. Good article though, summarizes the challenges and applications. tl;dr it's much much much harder to get a robot to cook a meal or sew a pair of pants than it is to make a self-driving car.

MIT Technology Review@technologyreview.com

Across robotics labs, tensions have emerged over whether current forms of AI are all that’s needed to perfect all-purpose humanoids or whether an entirely new path is required. What will it take to truly build general-purpose robots?

Nevermind the blank thumbnail - click through for a nice intro to chirality and its relevance to the origin of life, including a focus on the work of Donna Blackmond at Scripps.

Researchers have suggested that the origin of homochirality could be chemical reactions in which one reaction product acts as a catalyst for its own formation, a situation known as autocatalysis. #ChemNobel #NobelPrize #chemsky 🧪

I share this concern with experimental condensed matter/solid state physics. Each experiment is much cheaper than in particle physics, but in aggregate its the same problem: as funding is dimished, progress will slow or even stop.

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Sophisticated mass spec in a van to study wildfire air composition.

Montana Health and Climate@mthphc.bsky.social

🔥 What happens in the air during a controlled burn? In our latest Substack, we take a closer look at the chemistry of prescribed fire, what’s released when vegetation burn and why understanding these emissions matter for human health. Read the full article: substack.com/home/post/p-...

Jerome Moore reposted

"Those claims mask a voluntary system riddled with loopholes that has made scant progress toward stamping out one of the oil industry’s dirtiest practices. The industry helped shape the initiative, which leaves companies to police themselves."

Justin Mikulka@justinmikulka.bsky.social

Great work on oil and gas industry lies about "routine" flaring. “It’s a deliberate greenwash that establishes a target that’s meaningless,” says Richard Ward, a former Shell sustainability manager.... "Those loopholes are so big that they don’t have to do anything.” Gift link. Please read.

Jerome Moore reposted

Replying to @drkeithsmith.bsky.social

The Nobel Committee's scientific reasoning for the prize cites five key discoveries, made by Halzen and the IceCube Collaboration, that were published in @science.org. I had the pleasure of being the editor who handled four of them. Here's a thread of what each of those studies found. ☄️🔭⚛️🧪

AI thought leaders talking up doom-soon scenarios are desperate to taken as seriously as the scientists who created nuclear weapons, or work with biosafety level 4 organisms.

Jerome Moore reposted

At 9 AM the AQI was 58 , the dominant pollutant was PM2.5 and the air quality is moderate PM2.5 = 58 or 15.99 µg/m³ PM10 = 26 or 28.5 µg/m³ NO₂ = 25 or 27 ppb SO₂ = 1 or 0.69 ppb O₃ = 3 or 2.67 ppb CO = 3 or 0.3 ppb

Jerome Moore reposted

Postdoctoral Associate Position in Biosocial Science in the Human Nature Lab! We have a cutting edge research agenda in human social chemosignaling. Scientists with an interest in olfaction and AI or with experience in GC/MS or animal chemosignaling are especially encouraged. Please repost.

academicjobsonline.orgYale University, Sociology - Human Nature Lab Job #AJO30989, Postdoctoral Associate Position in Biosocial Science, Sociology - Human Nature Lab, Yale University, New Haven, Connecticut, US