ArticleACS omega2026
Benchmarking Affinity-Based Docking for Irreversible Acetylcholinesterase Inhibitors: A Physics-Informed Reactivity Framework for Stereoselective Potency Prioritization.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Authors and funding
4 authors.
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Abstract
Irreversible organophosphorus inhibitors of acetylcholinesterase (AChE) act by covalent phosphylation of the catalytic serine, yet their computational prioritization is often based on affinity scores from noncovalent docking. We benchmark that assumption against a curated set of measured human-AChE inhibition rate constants (
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.