| ▲ | AI in drug discovery – what it is, where we stand and the path forward(science.org) |
| 68 points by AnodicElegy 5 hours ago | 35 comments |
| https://www.nature.com/articles/s41573-026-01496-2 |
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| ▲ | colingauvin 2 hours ago | parent | next [-] |
| I'm a structural biologist at a mid-sized biotech. I use AI tools daily. They make accomplishing the same things I was able to accomplish before quite a lot faster and easier. They don't help me magically accomplish new things that I couldn't previously. For example, it helps me install academic software, debug things. It helps me take a large dataset and write scripts to ask questions. It helps me go through experiment drafts to see if I'm missing things. It helps me remember obscure formulas I use every 6 months. It has not, at least in my experience, come up with anything truly novel. A concrete example: AlphaFold is great...to come up with a starting model for a chimeric fusion or something. What would have taken me 1-2 hours fumbling around in PDB or CIF files is now a quick prompt. |
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| ▲ | iririririr an hour ago | parent [-] | | do you feel this is the same trade off of UI builders like android studio (or msvb6). you do in minutes what you previously did in 2, 3 hours. is it all the work? no, but it's a part that's early on and have high perceived impact. then, as you progress, that tool actually gets in the way and a new feature that would take 2 hours, now is around 2 days. | | |
| ▲ | colingauvin 5 minutes ago | parent [-] | | In some ways, but it's tough to say if that's my ADHD or not. It's far too easy to leave one branch of reasoning now and jump to another whenever progress gets difficult. Though in some areas where I can sustain interest, AI is helping me go deeper. For instance, I've been putting myself to sleep at night by just asking it questions about expectation maximization and Bayesian statistics. This has seriously boosted my understanding of cryo-EM alignment algorithms in a way I couldn't do in grad school because there was no professor that understood enough to help me when I got stuck reading literature. So it's a double edged sword for sure. |
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| ▲ | tim333 2 hours ago | parent | prev | next [-] |
| Derek Lowe discusion of the paper https://www.science.org/content/blog-post/so-how-ai-drug-dis... I think that was originally linked but got changed to the £30 to Elsevier version for some reason. |
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| ▲ | AnodicElegy 38 minutes ago | parent | next [-] | | OP here: the title of the thread still links to Derek Lowe's blog post, but the article discussed in the blog post was added to the body of the original post (not by me). | |
| ▲ | murphyslab 2 hours ago | parent | prev [-] | | Derek Lowe as a science communicator, and others like him, is sorely needed to understand the real meaning and significance of the study and others. I say that as someone with a PhD in chemistry who's been to plenty of presentations on drug discovery topics. It's difficult to calibrate statements made by other scientists unless you're well embedded within a field: Is this someone whose opinions matter? Are they the subject matter expert they make themselves out to be? Is this research itself truly impactful? Is it really 5 years until it will be realized outside of academic labs? Etc... It's difficult to decipher questions around credibility because they rely on real-world interactions and associations that extend beyond the physical tokens of paper counts, publication venues, citations, and author lists that typically lag behind the front of human knowledge which is generated from real-world interactions. It can be simple things, like the insightful question a grad student, with minimal publication history, asks in a seminar. Of course, the paywall is also unhelpful too, but a good, brief commentary by an appropriate commentator is a better link for 99% of prospective readers compared to most "peer reviewed" (scare quotes because that's a real question nowadays) articles. |
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| ▲ | Xenoamorphous 4 hours ago | parent | prev | next [-] |
| Need one for hair loss ASAP. |
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| ▲ | newsomix9xl 4 hours ago | parent | next [-] | | Indeed. My plans for a youthful Mohawk are being stymied by the lack of AI promised medical breakthroughs. Wheres my follicles dammit? | |
| ▲ | xX_Hacker_Xx 3 hours ago | parent | prev | next [-] | | there is a AI designed drug for hair loss that i know of. its slow-release oral minoxidil formulation called MINX. AI helped with the formulation [1]. its in in similar category as VDPHL01. Hundreds of millions if not a billion dollars has been invested into Veradermics, and their main product is VDPHL01 (also an extended-release oral formulation). [1] https://x.com/anagenxyz/status/2071601868841595082 | | |
| ▲ | kridsdale1 2 hours ago | parent [-] | | I’m on 0.5 to 1mg oral minoxidil daily for a few years now and it’s working great. Blood pressure benefits too. |
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| ▲ | SoftTalker an hour ago | parent | prev | next [-] | | A good set of clippers. | |
| ▲ | asxndu 4 hours ago | parent | prev | next [-] | | Already exists (finasteride), only problem is that it castrates you chemicallym | | |
| ▲ | gradus_ad 4 hours ago | parent | next [-] | | For everyone struggling with hair loss but concerned about side effects of Fin. Look into topical fin. It produces higher concentrations of the medication in the scalp and lower systemic concentration. Not perfect, but better. | |
| ▲ | skepticATX 4 hours ago | parent | prev | next [-] | | About 2% of finasteride users experience these side effects, and they are reversible after discontinuation. | | |
| ▲ | pton_xd 4 hours ago | parent [-] | | Apparently some users report persistent side effects even years after stopping the medication (post-finasteride syndrome). | | |
| ▲ | debugnik 3 hours ago | parent | next [-] | | How many of them can be accounted for by the natural rate of sexual dysfunction? I've been taking it without significant side effects for ~15 years, so I'm not worried, although at this point it's losing its main effect as well. | |
| ▲ | xX_Hacker_Xx 3 hours ago | parent | prev [-] | | yep that would be me |
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| ▲ | pstuart 4 hours ago | parent | prev [-] | | Yep. Not everybody but enough to warrant vigilant monitoring and titration. |
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| ▲ | alpineidyll3 4 hours ago | parent | prev [-] | | Absci has a good asset coming out pretty soon that you could try to get on the trial. |
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| ▲ | p-o 4 hours ago | parent | prev | next [-] |
| We're all about to come face to face with this reality. This dance can only last so long. |
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| ▲ | GolfPopper 4 hours ago | parent | next [-] | | >We're all about to come face to face with this reality. This dance can only last so long. Only for values of 'all' that exclude well-connected members of the billionaire class and their select associates. | |
| ▲ | alpineidyll3 4 hours ago | parent | prev [-] | | if you think the state of the art in this area is something you'll hear about from a guy that looks like santa in an academic journal, your investments deserve what's about to happen to them. |
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| ▲ | Oarch 3 hours ago | parent | prev | next [-] |
| [AI drug discovery] was never the hard part. |
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| ▲ | largbae 2 hours ago | parent | prev | next [-] |
| How refreshing was this article vs. all the slop? The lack of comparable data and testability really does seem to be a challenge. I wonder if people would be more willing to collect and share lots of health data if the collecting company was a non-profit dedicated to anonymizing it. |
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| ▲ | cryptographical 3 hours ago | parent | prev | next [-] |
| need one for brain plasicity. it would be nice to be able to easily learn a foreign language or musical instrument naturally. |
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| ▲ | bothers 2 hours ago | parent | next [-] | | Easily? Have you ever actually learned a second language or an instrument as a child? | |
| ▲ | KellyCriterion 3 hours ago | parent | prev | next [-] | | There is one! Ketamin should have huge impacts on neuro/brain plasticity when used properly (i.e. in therapy) | | |
| ▲ | immmmmm 3 hours ago | parent [-] | | Psychedelics are several orders of magnitude stronger on the plasticity front. In therapy as well. |
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| ▲ | consensus1 2 hours ago | parent | prev [-] | | Psilocybin has this effect. Source: I can't remember where I read it, so low confidence. |
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| ▲ | WarOnPrivacy 4 hours ago | parent | prev | next [-] |
| nerd-fanboi proposal: Articles by national treasures (like Derek Lowe, Raymond Chen) should be highlighted with specific identifiers on HN - like a distinctive title font or an ascii diamond ◊. |
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| ▲ | snapetom 4 hours ago | parent [-] | | No thanks. Social media needs less hero worship. Just RSS whoever you like. | | |
| ▲ | WarOnPrivacy 2 hours ago | parent [-] | | I agree. I won't do heroes. Ever. A National Treasure, on the other hand - they enrich life without being a vector for tribalism (eg:Michael Kramer/Kate Reading). |
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| ▲ | EA-3167 4 hours ago | parent | prev | next [-] |
| > "The paper goes on to make recommendations for AI companies and investigators, and these are well worth reading. The common theme is that people need to think more about why they’re doing certain techniques or using certain technologies, rather than just using them because they’re newly available." Please. Please let some people with power and influence understand this lesson sooner rather than later. I understand the reasons that's unlikely to occur, but usually the impact isn't quite so drastic and expensive as this is. Just because something is new and shiny doesn't mean that it'll produce the outcomes you need at the other end, and until it's shown that capability your approach to it should be MODERATE. |
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| ▲ | bbondo 4 hours ago | parent [-] | | Drug discovery scientists think about what they're doing and why ALL THE TIME. AI stuff is just another tool. It's also worth mentioning that drug development timelines typically exceed the interval in which these technologies have been available (or at least effective). Measuring impact will take a long time. |
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| ▲ | chrisjj 3 hours ago | parent | prev [-] |
| Has this yet produced a treatment for AI psychosis? No? Well fancy that! :) |