meta.json

{
	"name": "mutagenesis_188",
	"samples": 188,
	"val_samples": 44,
	"test_samples": 44,
	"classes": 2,
	"class_occurrence": [63, 125],
	"depth": 3,

	"label": "mutagenic",

	"description": {
		"ind1": {
			"type": "binary",
			"cost": 1.0
		},
		"inda": {
			"type": "binary",
			"cost": 1.0
		},
		"logp": {
			"type": "float",
			"cost": 1.0
		},
		"lumo": {
			"type": "float",
			"cost": 1.0
		},
		"mutagenic": {
			"type": "label"
		},
		"atoms": {
			"type": "bag",
			"cost": 0.0,

			"element": {
				"type": "category",
				"values": ["n", "o", "f", "i", "c", "h", "b"],
				"cost": 0.5
			},
			"atom_type": {
				"type": "category",
				"values": [1, 3, 8, 10, 14, 16, 19, 21, 22, 25, 26, 27, 28, 29, 31, 32, 34, 35, 36, 38, 40, 41, 42, 45, 49, 50, 51, 52, 194, 195, 92, 93, 94, 95, 230, 232],
				"cost": 0.5
			},
			"charge": {
				"type": "float",
				"cost": 0.5
			},
			"bonds": {
				"type": "bag",
				"cost": 0.5,

				"bond_type": {
					"type": "category",
					"values": [1, 2, 3, 4, 5, 7],
					"cost": 0.1
				},
				"element": {
					"type": "category",
					"values": ["n", "o", "f", "i", "c", "h", "b"],
					"cost": 0.1
				},
				"atom_type": {
					"type": "category",
					"values": [1, 3, 8, 10, 14, 16, 19, 21, 22, 25, 26, 27, 28, 29, 31, 32, 34, 35, 36, 38, 40, 41, 42, 45, 49, 50, 51, 52, 194, 195, 92, 93, 94, 95, 230, 232],
					"cost": 0.1
				},
				"charge": {
					"type": "float",
					"cost": 0.1
				}	
			}
		}
	}
}