{
  "abstract": "Universal model for atoms (UMA) was evaluated for predicting enantioselectivity through direct modeling of diastereomeric transition states via conformational ensemble averaging. Across two organocatalytic and two metal-catalyzed transformations, UMA produced experimental selectivity trend with accuracy within 1-2 kcal/mol identifying key structural features governing stereoinduction. Findings discussed here highlight the promise of UMA foundation models as efficient alternatives for expensive quantum chemical methods in mechanistic modeling while also revealing current scope and limitations.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "name": "Soumik Das",
      "orcid": "0000-0002-1951-1906"
    },
    {
      "name": "Cyndi Qixin He"
    },
    {
      "name": "Yu-hong Lam"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/ekscjhw8vbkgv.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15009465/v1",
  "fulltext_url": null,
  "id": "ekscjhw8vbkgv",
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  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009465/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1605|Asymmetric Synthesis and Catalysis"
    ]
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  "openalex": "W7214382302",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15009465/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-24",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/ekscjhw8vbkgv.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:21Z",
      "native_id": "10.26434/chemrxiv.15009465",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009465/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Asymmetric Synthesis and Catalysis",
      "subfield": "organic"
    }
  ],
  "title": "Universal Model for Atoms (UMA) in Computational Asymmetric Catalysis: Comparing Enantioselectivity Predictions",
  "title_text": "Universal Model for Atoms (UMA) in Computational Asymmetric Catalysis: Comparing Enantioselectivity Predictions",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:21Z",
  "url": "https://research.draconitic.com/paper/ekscjhw8vbkgv",
  "venue": "ChemRxiv",
  "versions": []
}