{
  "annotation_id": "44f113a7-a2ec-497b-8b60-e748152b5336",
  "date_created": "2026-03-02T18:01:14.573000Z",
  "date_modified": "2026-03-02T18:01:14.573000Z",
  "file_hash": "5a39875f9fb522dccfdccebc43fb5bb2e9c97dc83c3d621525bcccf8856d11be",
  "private": false,
  "record": {
    "abstract": "A deceptively simple descriptor, viz. the number of carbon / non-hydrogenic\natoms present in a molecule, is proposed for the development of useful\nquantitative-structure-property-relationship (QSPR) models. It is tested in\nmodels pertaining to the estimation of boiling point of alcohols, enthalpy of\nvaporization of polychlorinated biphenyls (PCBs), n-octanol / water partition\ncoefficient of PCBs and chloroanisoles, pKa values of carboxylic acids, phenols\nand alcohols etc. Very high values of various regression coefficients (R2,\nR2CV, R2Ad) suggest the significance of this descriptor which further improves\nin the resulting two-parameter QSPR models with electrophilicity or its local\nvariant as an additional descriptor.",
    "arxiv_id": "physics/0611204",
    "authors": [
      "S. Giri",
      "D. R. Roy",
      "P. Bultinck",
      "V. Subramanian",
      "P. K. Chattaraj"
    ],
    "categories": [
      "physics.chem-ph"
    ],
    "title": "An Atom Counting QSPR Protocol",
    "url": "https://arxiv.org/abs/physics/0611204"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "5741a66b-046d-4a4b-bad2-a810fdabf921",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}