医疗智能体 EIHealth-查询分子优化任务:响应示例

时间：2023-11-01 16:18:53

医疗智能体 EIHealth

响应示例

状态码： 200

分子优化任务查询成功响应

{  "status" : "finished",  "result" : {    "name" : "87ba6b54-2288-4a5d-90a2-3db01c22a9d2",    "num_rounds" : 10,    "num_expected" : 1000,    "num_strong_constraints" : 0,    "num_weak_constraints" : 5,    "custom_props" : [ {      "id" : "3b2dce64-c244-11ed-acf5-0255ac100017",      "prop_definition" : {        "id" : "c4c07032d1934671a0dfe3bd10416eea",        "name" : "custom_prop_name",        "type" : "numerical",        "description" : "custom_prop_description"      }    } ],    "prop_names" : [ "formula", "ab", "acute_toxicity_rule", "bace", "3b2dce64-c244-11ed-acf5-0255ac100017", "3b2dce64-c244-11ed-acf5-0255ac100017_std" ],    "original" : {      "smiles" : "c1ccccc1",      "props" : [ "C6H6", "base", 0, 0.128335, 0.43, 0.28 ]    },    "result" : [ {      "smiles" : "c1ccccc1",      "num_fulfilled_weak_constraints" : 3,      "similarity" : 0.8,      "score" : 0.388029,      "props" : [ "C6H6", "base", 0, 0.128335, 0.43, 0.28 ]    }, {      "smiles" : "C1CCCCC1",      "num_fulfilled_weak_constraints" : 2,      "similarity" : 0.6,      "score" : 0.304194,      "props" : [ "C6H12", "base", 0, 0.163034, 0.43, 0.28 ]    } ],    "weak_constraints" : [ {      "name" : "mw",      "type" : "range",      "range" : [ 100, 600 ]    }, {      "name" : "nhet",      "type" : "range",      "range" : [ 0, 15 ]    }, {      "name" : "fsp3",      "type" : "range",      "range" : [ 0.07317073170731707, null ]    }, {      "name" : "qedmean",      "type" : "maximize"    }, {      "name" : "sascore",      "type" : "minimize",      "quantiles" : [ 0.1, 0.9 ]    } ],    "strong_constraints" : [ {      "name" : "mw",      "type" : "range",      "range" : [ 100, 600 ]    } ],    "binding_site" : {      "protein" : "H4sIAK8LamMC/3MM8fdVAANDBQU/IOUY7KfgqKBgYgEVNdAzMDACMfRMTAwUFIyN9EwsDUFcAyDPQA+mDgz8AHV0WkpOAAAA",      "bounding_box" : {        "center" : [ 1.3, 23.4, -14.5 ],        "size" : [ 10.0, 10.0, 10.0 ]      }    }  }}

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