{
  "abstract": "In 2025, we introduced the Scale-Up Crystallisation DataFactory, an automated platform for crystallisation experimentation and Bayesian optimisation. However, the initial case study used a relatively simple three-parameter, single-objective optimisation problem. In this Commit paper, we extend the platform to a five-dimensional, multi-objective cooling-antisolvent crystallisation of lovastatin and benchmark data-driven, mechanistic and hybrid optimisation approaches. Sixteen screening experiments were followed by model-guided experiments targeting yield and particle size (D90). Bayesian optimisation produced continued improvements in hypervolume, while mechanistic and hybrid approaches did not improve experimental performance beyond screening. The results demonstrate the value of experimentally benchmarking optimisation strategies for autonomous process development.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "name": "Thomas Pickles",
      "orcid": "0009-0006-3377-3124"
    },
    {
      "name": "Cameron J. Brown"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/0j5p2qj98jpvn.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010269/v1",
  "fulltext_url": null,
  "id": "0j5p2qj98jpvn",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010269/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",
      "2505|Crystallization and Solubility Studies"
    ]
  ],
  "openalex": "W7221522039",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010269/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-12",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/0j5p2qj98jpvn.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "10.26434/chemrxiv.15010269",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010269/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Crystallization and Solubility Studies",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Commit: Automated Scale-Up Crystallisation DataFactory for model-based pharmaceutical process development: a data-driven, mechanistic and hybrid model case study",
  "title_text": "Commit: Automated Scale-Up Crystallisation DataFactory for model-based pharmaceutical process development: a data-driven, mechanistic and hybrid model case study",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/0j5p2qj98jpvn",
  "venue": "ChemRxiv",
  "versions": []
}