25 Dec 2025, 23:15 UTC95 views2 reactionsread 9 August 2026 #oprd
There is always room to read about crystallisation development!
This paper presented the general idea of using rapid process modeling as a parallel instrument to the widely applied DoE-based design and scale-up.
Kind of overkill, but interesting to read for understanding how process could be described.
https://pubs.acs.org/doi/10.1021/acs.oprd.4c00199
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3 Nov 2025, 19:11 UTC139 views1 reactionsread 9 August 2026 #rnd
It reminds me of another crowdsourced database collecting small-molecule synthesis routes.
https://chemistrybydesign.oia.arizona.edu/
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3 Nov 2025, 19:03 UTC121 views1 reactionsread 9 August 2026 #rnd
oligowiki is a curated, queryable database focused on therapeutic oligonucleotides and the chemistries that define them
https://www.oligowizard.com/wiki/
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3 Nov 2025, 18:56 UTC109 views1 reactionsread 9 August 2026 Photo
#cmc #oprd
Quality by digital design to accelerate sustainable medicines development
If you get tired of QbD, now some people invent QbDD.
Jokes aside - good review of what was already done and how QbD can evolve in digital era.
https://doi.org/10.1016/j.ijpharm.2025.125625
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22 Oct 2025, 20:30 UTC111 views1 reactionsread 9 August 2026 Building ChemInformatic Agents with LangGraph
A hands-on introduction to agents and tool calling
- Build and customize AI agents that can reason, plan, and execute tasks in chemical research
- Use tool calling to connect models with cheminformatics libraries
- Explore real-world use cases like property prediction
https://colab.research.google.com/drive/1nuuVA-1RTLqUC2AyKBc1OHmfPzdhhyJG
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22 Oct 2025, 19:02 UTC118 views1 reactionsread 9 August 2026 Photo
#rnd
The preprint from Bayer applies WISP (Workflow for Interpretability Scoring using matched molecular Pairs) to real chemical datasets like LCAP yields, Factor Xa inhibition, and AMES mutagenicity. It shows how explainability methods can highlight which structural changes (e.g. adding a methyl group) influence model predictions. Importantly, WISP can also reveal when these explanations don’t reflect real chemistr…
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22 Oct 2025, 18:49 UTC69 views2 reactionsread 9 August 2026 #rnd #cmc
This review summarizes key challenges and considerations in translating machine learning models into decision-making tools for real-world drug discovery projects, in particular, related to compound toxicity and safety. This includes making choices about data, modeling, validation, model metrics, and applying the model thus obtained to the process of drug discovery.
https://pubs.acs.org/doi/10.1021/acs.che…
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13 Oct 2025, 21:14 UTC96 views2 reactionsread 9 August 2026 Photo
#rnd
AI for Scientific Discovery is a Social Problem
A tool is only as good as its user.
https://arxiv.org/abs/2509.06580
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13 Oct 2025, 20:52 UTC89 views1 reactionsread 9 August 2026 Photo
#rnd
Not exactly groundbreaking, but a smart and pragmatic shift from Iktos.
Instead of asking “how do we make this designed molecule?” the authors flip the question to “what can we actually make from what’s already on the shelf - and what can we feed to the robots without endless reconfiguration?”
Their cluster synthesis strategy groups diverse reactions into a few shared condition clusters, streamlining execution …
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13 Oct 2025, 19:00 UTC76 views1 reactionsread 9 August 2026 Photo
#oprd
Cheeky robots are now coming for lab coats too, not just IT jobs.
An interesting preprint introduces RAISE - a self-driving lab that fully automates formulation, contact-angle measurement, and optimization in a Bayesian closed loop. It turns surface science from tedious manual work into rapid, data-driven formulation discovery. Not pharma per se, but it could easily be applied there.
https://arxiv.org/abs/251…
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5 Oct 2025, 21:20 UTC109 views1 reactionsread 9 August 2026 Photo
#cmc
ICH is merging all stability guides into one big chunk - Q1A–E/Q5C will now live together as just Q1.
What’s new:
– Enhanced emphasis on knowledge- and risk-based approaches
– New or expanded types of stability / supportive studies (f… finally)
– Lifecycle / post-approval changes & commitments
– New Annex for ATMPs and other new modalities
A must-read for the grown-ups in pharma development - you’ll want to be…
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5 Oct 2025, 21:06 UTC95 views1 reactionsread 9 August 2026 #rnd
The aforementioned SAscore and its successor BR-SAscore - still the best heuristic for synthetic accessibility, imho. Neither the modern SCscore, RAscore, nor SYBA manage to beat it. Very handy if you want to estimate which AI-slop molecules actually have a chance of being synthesised.
https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-1-8
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Showing the 12 most recent of 20 posts we hold for @oprd_radar. View and reaction counts are the latest single reading for each post, not a live figure, and a recent post is still accumulating both. A view count marked ≈ was rounded by Telegram before we ever saw it — t.me prints views in full below 1,000 and to three significant figures above, so ≈1,200,000 means somewhere between 1,150,000 and 1,249,999. Unmarked counts are exact. Text is reproduced from the public post preview and truncated for length.