Changes
On October 25, 2024 at 2:25:44 PM UTC, Edoardo Luca Vigano:
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f | 1 | { | f | 1 | { |
2 | "age_type": [], | 2 | "age_type": [], | ||
3 | "author": "Edoardo Luca Vigan\u00f2", | 3 | "author": "Edoardo Luca Vigan\u00f2", | ||
4 | "author_email": "edoardo.vigano@marionegri.it", | 4 | "author_email": "edoardo.vigano@marionegri.it", | ||
5 | "category": [], | 5 | "category": [], | ||
6 | "cells_number": "", | 6 | "cells_number": "", | ||
7 | "content": [], | 7 | "content": [], | ||
8 | "creator_user_id": "56153fff-4293-4f39-9723-fcc904de812a", | 8 | "creator_user_id": "56153fff-4293-4f39-9723-fcc904de812a", | ||
9 | "culture_medium": [], | 9 | "culture_medium": [], | ||
10 | "dimension": [], | 10 | "dimension": [], | ||
11 | "experiment_date": "", | 11 | "experiment_date": "", | ||
12 | "groups": [], | 12 | "groups": [], | ||
13 | "id": "a0a50f84-816f-4499-8f86-7b02a1e303f7", | 13 | "id": "a0a50f84-816f-4499-8f86-7b02a1e303f7", | ||
14 | "isopen": false, | 14 | "isopen": false, | ||
15 | "license_id": "notspecified", | 15 | "license_id": "notspecified", | ||
16 | "license_title": "License not specified", | 16 | "license_title": "License not specified", | ||
17 | "maintainer": "", | 17 | "maintainer": "", | ||
18 | "maintainer_email": "", | 18 | "maintainer_email": "", | ||
19 | "metadata_created": "2024-10-25T14:24:45.042837", | 19 | "metadata_created": "2024-10-25T14:24:45.042837", | ||
n | 20 | "metadata_modified": "2024-10-25T14:25:42.643152", | n | 20 | "metadata_modified": "2024-10-25T14:25:43.589947", |
21 | "model": [], | 21 | "model": [], | ||
22 | "name": "aryl-hydrocarbon-receptor-activation", | 22 | "name": "aryl-hydrocarbon-receptor-activation", | ||
23 | "notes": "Aryl Hydrocarbon Receptor Activation\r\n\r\nData:\r\nThe | 23 | "notes": "Aryl Hydrocarbon Receptor Activation\r\n\r\nData:\r\nThe | ||
24 | Target ID (CHEMBL3201) is assigned to Aryl Hydrocarbon Receptor (AHR) | 24 | Target ID (CHEMBL3201) is assigned to Aryl Hydrocarbon Receptor (AHR) | ||
25 | activation, so we collected all data related to this endpoint. To | 25 | activation, so we collected all data related to this endpoint. To | ||
26 | define a binary classification suitable for our purposes, we | 26 | define a binary classification suitable for our purposes, we | ||
27 | considered the category comments provided in the database and pChEMBL, | 27 | considered the category comments provided in the database and pChEMBL, | ||
28 | a standardized logarithmic transformation of activity values (e.g., | 28 | a standardized logarithmic transformation of activity values (e.g., | ||
29 | IC50, EC50, Ki, Kd, etc.), which facilitates the comparison of | 29 | IC50, EC50, Ki, Kd, etc.), which facilitates the comparison of | ||
30 | different types of bioactivity data. Data marked as inconclusive or | 30 | different types of bioactivity data. Data marked as inconclusive or | ||
31 | with a validity comment of 'not outside typical range' were discarded. | 31 | with a validity comment of 'not outside typical range' were discarded. | ||
32 | Initially, we downloaded 1,071 entries, and after data curation, 347 | 32 | Initially, we downloaded 1,071 entries, and after data curation, 347 | ||
33 | chemicals were retained in our database. For compounds without a | 33 | chemicals were retained in our database. For compounds without a | ||
34 | predefined category, we classified chemicals with a pChEMBL > 0.5 as | 34 | predefined category, we classified chemicals with a pChEMBL > 0.5 as | ||
35 | active.\r\n\r\nEndpoint:\r\nBinary endpoint: {0:inactive, 1:active}", | 35 | active.\r\n\r\nEndpoint:\r\nBinary endpoint: {0:inactive, 1:active}", | ||
36 | "num_resources": 1, | 36 | "num_resources": 1, | ||
37 | "num_tags": 2, | 37 | "num_tags": 2, | ||
38 | "organization": { | 38 | "organization": { | ||
39 | "approval_status": "approved", | 39 | "approval_status": "approved", | ||
40 | "created": "2023-03-17T17:42:44.917090", | 40 | "created": "2023-03-17T17:42:44.917090", | ||
41 | "description": "The Mario Negri Institute for Pharmacological | 41 | "description": "The Mario Negri Institute for Pharmacological | ||
42 | Research (www.marionegri.it) is a not-for-profit | 42 | Research (www.marionegri.it) is a not-for-profit | ||
43 | biomedical\r\nresearch organization.\r\nIt was established in Milan in | 43 | biomedical\r\nresearch organization.\r\nIt was established in Milan in | ||
44 | 1961 and later (1984) opened research units in Bergamo, currently | 44 | 1961 and later (1984) opened research units in Bergamo, currently | ||
45 | located at the\r\nKilometro Rosso Science and Technology Park, and | 45 | located at the\r\nKilometro Rosso Science and Technology Park, and | ||
46 | Ranica (near Bergamo)", | 46 | Ranica (near Bergamo)", | ||
47 | "id": "e50db934-20d8-4a27-80a2-ce67bc4d99db", | 47 | "id": "e50db934-20d8-4a27-80a2-ce67bc4d99db", | ||
48 | "image_url": "2023-03-17-174244.890524IMNOrizzontaleRGB.png", | 48 | "image_url": "2023-03-17-174244.890524IMNOrizzontaleRGB.png", | ||
49 | "is_organization": true, | 49 | "is_organization": true, | ||
50 | "name": "irfmn", | 50 | "name": "irfmn", | ||
51 | "state": "active", | 51 | "state": "active", | ||
52 | "title": "IRFMN", | 52 | "title": "IRFMN", | ||
53 | "type": "organization" | 53 | "type": "organization" | ||
54 | }, | 54 | }, | ||
55 | "owner_org": "e50db934-20d8-4a27-80a2-ce67bc4d99db", | 55 | "owner_org": "e50db934-20d8-4a27-80a2-ce67bc4d99db", | ||
56 | "private": false, | 56 | "private": false, | ||
57 | "ratio_hipsccms_hcaecs": "", | 57 | "ratio_hipsccms_hcaecs": "", | ||
58 | "relationships_as_object": [], | 58 | "relationships_as_object": [], | ||
59 | "relationships_as_subject": [], | 59 | "relationships_as_subject": [], | ||
60 | "replicates_number": "", | 60 | "replicates_number": "", | ||
61 | "resources": [ | 61 | "resources": [ | ||
62 | { | 62 | { | ||
63 | "cache_last_updated": null, | 63 | "cache_last_updated": null, | ||
64 | "cache_url": null, | 64 | "cache_url": null, | ||
65 | "created": "2024-10-25T14:25:42.670662", | 65 | "created": "2024-10-25T14:25:42.670662", | ||
66 | "datastore_active": false, | 66 | "datastore_active": false, | ||
67 | "description": "QSAR-ready database for Aryl Hydrocarbon | 67 | "description": "QSAR-ready database for Aryl Hydrocarbon | ||
68 | Receptor (AHR) Activation\r\n\r\nBinary Endpoint: {0:inactive, | 68 | Receptor (AHR) Activation\r\n\r\nBinary Endpoint: {0:inactive, | ||
69 | 1:active}", | 69 | 1:active}", | ||
70 | "format": "CSV", | 70 | "format": "CSV", | ||
71 | "hash": "", | 71 | "hash": "", | ||
72 | "id": "749952d6-c79c-4e59-8907-aaed39a6ee99", | 72 | "id": "749952d6-c79c-4e59-8907-aaed39a6ee99", | ||
73 | "last_modified": null, | 73 | "last_modified": null, | ||
n | 74 | "metadata_modified": "2024-10-25T14:25:42.655238", | n | 74 | "metadata_modified": "2024-10-25T14:25:43.635537", |
75 | "mimetype": null, | 75 | "mimetype": null, | ||
76 | "mimetype_inner": null, | 76 | "mimetype_inner": null, | ||
77 | "name": "Aryl Hydrocarbon Receptor (AHR) ", | 77 | "name": "Aryl Hydrocarbon Receptor (AHR) ", | ||
78 | "package_id": "a0a50f84-816f-4499-8f86-7b02a1e303f7", | 78 | "package_id": "a0a50f84-816f-4499-8f86-7b02a1e303f7", | ||
79 | "position": 0, | 79 | "position": 0, | ||
80 | "resource_type": null, | 80 | "resource_type": null, | ||
81 | "size": null, | 81 | "size": null, | ||
82 | "state": "active", | 82 | "state": "active", | ||
83 | "url": "", | 83 | "url": "", | ||
84 | "url_type": null | 84 | "url_type": null | ||
85 | } | 85 | } | ||
86 | ], | 86 | ], | ||
87 | "size": 0, | 87 | "size": 0, | ||
t | 88 | "state": "draft", | t | 88 | "state": "active", |
89 | "tags": [ | 89 | "tags": [ | ||
90 | { | 90 | { | ||
91 | "display_name": "Aryl Hydrocarbon Receptor", | 91 | "display_name": "Aryl Hydrocarbon Receptor", | ||
92 | "id": "7c962933-1735-4acf-bdc1-b88e9cd5d36e", | 92 | "id": "7c962933-1735-4acf-bdc1-b88e9cd5d36e", | ||
93 | "name": "Aryl Hydrocarbon Receptor", | 93 | "name": "Aryl Hydrocarbon Receptor", | ||
94 | "state": "active", | 94 | "state": "active", | ||
95 | "vocabulary_id": null | 95 | "vocabulary_id": null | ||
96 | }, | 96 | }, | ||
97 | { | 97 | { | ||
98 | "display_name": "cardiotox", | 98 | "display_name": "cardiotox", | ||
99 | "id": "576d16b5-5a7d-479e-b678-c26874f5e3f6", | 99 | "id": "576d16b5-5a7d-479e-b678-c26874f5e3f6", | ||
100 | "name": "cardiotox", | 100 | "name": "cardiotox", | ||
101 | "state": "active", | 101 | "state": "active", | ||
102 | "vocabulary_id": null | 102 | "vocabulary_id": null | ||
103 | } | 103 | } | ||
104 | ], | 104 | ], | ||
105 | "title": "Aryl Hydrocarbon Receptor Activation", | 105 | "title": "Aryl Hydrocarbon Receptor Activation", | ||
106 | "toxin": [], | 106 | "toxin": [], | ||
107 | "type": "dataset", | 107 | "type": "dataset", | ||
108 | "url": "", | 108 | "url": "", | ||
109 | "version": "0.1" | 109 | "version": "0.1" | ||
110 | } | 110 | } |