cff-version: 1.2.0
abstract: "<p>This repository consists of the code necessary for reproduction of results in the paper Machine Learning-Assisted Pathway Optimization in Large Combinatorial Design Spaces: a p-Coumaric Acid Case Study. The data consists of :</p><ol><li>NMR screening data of ~3000 engineered S. cerevisiae strains (in code_mlassisted_pca.zip, data/raw/CycleTUD/), and follow-up DBTL cycle (data/raw/CycleTUDValidation)</li><li>DNA sequencing data (.fasta format, in 4tu_mlassisted_pca_fasta) and coverage per contig files. </li><li>Processed count matrices and numerical matrices that were downstream-processed from the DNA sequencing data files using .gff biobricks files.</li></ol><p><br></p><p>Code is also available on the github repository </p><p>https://github.com/AbeelLab/ml-assisted-p-coumaric-acid-optimization</p>"
authors:
  - family-names: van Lent
    given-names: Paul
    orcid: "https://orcid.org/0009-0001-2887-0193"
  - family-names: Abeel
    given-names: Thomas
  - family-names: van der Hoek
    given-names: Rianne
  - family-names: Schmitz
    given-names: Joep
    orcid: "https://orcid.org/0009-0003-2815-1476"
  - family-names: Moreno Paz
    given-names: Sara
    orcid: "https://orcid.org/0000-0001-8626-0601"
  - family-names: Kooi
    given-names: Irsan
  - family-names: Jonkers
    given-names: Moniek
  - family-names: Zwartjens
    given-names: Priscilla
    orcid: "https://orcid.org/0000-0002-5826-2826"
title: " Data and code underlying the publication: Machine Learning-Assisted Pathway Optimization in Large Combinatorial Design Spaces: a p-Coumaric Acid Case Study"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/fa0782ab-760d-4fa7-babf-09bdaab0f509.v1
license: CC BY 4.0
date-released: 2025-11-18