{
  "primary_model_predeclared": "fingerprint_plus_descriptors_et",
  "metrics": {
    "descriptor_only_ridge": {
      "n": 391,
      "r2": 0.8228499758611462,
      "mae": 1.355932043876065,
      "rmse": 1.768628626680874,
      "bias": -0.2221587402894955,
      "calibration_slope": 0.8078259104412557,
      "calibration_intercept": 1.2474392824266713
    },
    "descriptor_only_et": {
      "n": 391,
      "r2": 0.9117106489699729,
      "mae": 0.8297925508377869,
      "rmse": 1.248591012472299,
      "bias": -0.06569718439751333,
      "calibration_slope": 0.8945504595395685,
      "calibration_intercept": 0.7406989146437573
    },
    "fingerprint_no_lab_et": {
      "n": 391,
      "r2": 0.5309043644049862,
      "mae": 2.0800006101173576,
      "rmse": 2.8780394219590764,
      "bias": 0.013271100145887293,
      "calibration_slope": 0.6539691323734693,
      "calibration_intercept": 2.659446138780642
    },
    "fingerprint_only_et": {
      "n": 391,
      "r2": 0.8751383869171369,
      "mae": 1.0295073730861024,
      "rmse": 1.4848429211425032,
      "bias": 0.19041704231031886,
      "calibration_slope": 0.9055094935954786,
      "calibration_intercept": 0.9130069694767776
    },
    "fingerprint_plus_descriptors_et": {
      "n": 391,
      "r2": 0.951642596632418,
      "mae": 0.6036743691898592,
      "rmse": 0.9240543770601332,
      "bias": 0.027259883072104293,
      "calibration_slope": 0.9389926694230583,
      "calibration_intercept": 0.4937965144823386
    },
    "fingerprint_no_lab_plus_lab_affine": {
      "n": 391,
      "r2": 0.8281998701183391,
      "mae": 1.2618100255709905,
      "rmse": 1.7417177834261413,
      "bias": 0.0034513128226940364,
      "calibration_slope": 0.8572848793878669,
      "calibration_intercept": 1.094825595093864
    },
    "lab_median": {
      "n": 391,
      "r2": 0.433531368995719,
      "mae": 2.5654923279028132,
      "rmse": 3.1626706975563526,
      "bias": -0.050814577468030676,
      "calibration_slope": 0.45911908011502073,
      "calibration_intercept": 4.085422166064902
    }
  },
  "feature_dimensions": {
    "descriptor_only": 28,
    "fingerprint_only": 2071,
    "fingerprint_plus_descriptors": 2076
  },
  "selection_rule": "No outer-test model selection; all fixed models are reported."
}