{
  "id": 507364,
  "title": "How to distinguish between Triazine and Non-Triazine molecules?",
  "url": "/competitions/leash-BELKA/discussion/507364",
  "author_name": "",
  "post_date": "2024-05-25T12:37:00.329912Z",
  "votes": 3,
  "comment_count": 3,
  "views": 0,
  "content": "<p>Excuse me for the basic question. I think there are three types of data in the test data: share-BB, nonshare-BB, and New Library. However, there is no column indicating whether it is triazine or non-triazine. Is it possible to determine whether a molecule is triazine or non-triazine from the SMILES string of BB or Molecule alone?</p>",
  "messages": [
    {
      "id": "2835647",
      "postDate": "05/25/2024 12:37:00",
      "content": "<p>Excuse me for the basic question. I think there are three types of data in the test data: share-BB, nonshare-BB, and New Library. However, there is no column indicating whether it is triazine or non-triazine. Is it possible to determine whether a molecule is triazine or non-triazine from the SMILES string of BB or Molecule alone?</p>",
      "rawMarkdown": "Excuse me for the basic question. I think there are three types of data in the test data: share-BB, nonshare-BB, and New Library. However, there is no column indicating whether it is triazine or non-triazine. Is it possible to determine whether a molecule is triazine or non-triazine from the SMILES string of BB or Molecule alone?",
      "votes": null
    },
    {
      "id": "2835748",
      "postDate": "05/25/2024 14:02:37",
      "content": "<p>This code does it: <a href=\"https://www.kaggle.com/code/chemdatafarmer/scaffold-exploration\" target=\"_blank\">https://www.kaggle.com/code/chemdatafarmer/scaffold-exploration</a></p>",
      "rawMarkdown": "This code does it: https://www.kaggle.com/code/chemdatafarmer/scaffold-exploration",
      "votes": null
    },
    {
      "id": "2836560",
      "postDate": "05/26/2024 02:29:09",
      "content": "<p>Thank you so much!</p>",
      "rawMarkdown": "Thank you so much!",
      "votes": null
    },
    {
      "id": "2863387",
      "postDate": "06/09/2024 11:23:55",
      "content": "<p>The code in the attached URL looks like just checking the whole molecule has triazine or not. However, does this necessarily indicate the CORE is triazine? I found some building blocks contain triazine as a substructure. </p>",
      "rawMarkdown": "The code in the attached URL looks like just checking the whole molecule has triazine or not. However, does this necessarily indicate the CORE is triazine? I found some building blocks contain triazine as a substructure.",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 2835748,
      "author_name": "roberthatch",
      "author_url": "",
      "post_date": "05/25/2024 14:02:37",
      "content": "<p>This code does it: <a href=\"https://www.kaggle.com/code/chemdatafarmer/scaffold-exploration\" target=\"_blank\">https://www.kaggle.com/code/chemdatafarmer/scaffold-exploration</a></p>",
      "votes": null,
      "replies": [
        {
          "id": 2836560,
          "author_name": "taroiwai",
          "author_url": "",
          "post_date": "05/26/2024 02:29:09",
          "content": "<p>Thank you so much!</p>",
          "votes": null,
          "replies": []
        },
        {
          "id": 2863387,
          "author_name": "atsuno",
          "author_url": "",
          "post_date": "06/09/2024 11:23:55",
          "content": "<p>The code in the attached URL looks like just checking the whole molecule has triazine or not. However, does this necessarily indicate the CORE is triazine? I found some building blocks contain triazine as a substructure. </p>",
          "votes": null,
          "replies": []
        }
      ]
    }
  ],
  "raw_markdown_by_id": {
    "2835647": "Excuse me for the basic question. I think there are three types of data in the test data: share-BB, nonshare-BB, and New Library. However, there is no column indicating whether it is triazine or non-triazine. Is it possible to determine whether a molecule is triazine or non-triazine from the SMILES string of BB or Molecule alone?",
    "2835748": "This code does it: https://www.kaggle.com/code/chemdatafarmer/scaffold-exploration",
    "2836560": "Thank you so much!",
    "2863387": "The code in the attached URL looks like just checking the whole molecule has triazine or not. However, does this necessarily indicate the CORE is triazine? I found some building blocks contain triazine as a substructure."
  },
  "source": "meta"
}