{
  "id": 102051,
  "title": "why no real molecule names?",
  "url": "/competitions/champs-scalar-coupling/discussion/102051",
  "author_name": "Shifa",
  "post_date": "2019-07-30T15:54:53.762000",
  "votes": -9,
  "comment_count": 4,
  "views": 0,
  "content": "<p>The prediction is strongly dependent on the chemical structure of molecule. Same atoms will get different coupling constants in a different chemical structure. The chemical names, such as dsgdb9nsd_000001, is totally meaningless.  If you can offer the real chemical names, such as methane rather than dsgdb9nsd_000001, better and more reliable prediction can be made.</p>",
  "messages": [
    {
      "id": 588834,
      "postDate": "2019-07-31T05:32:51.373Z",
      "content": "<p>How would name help you make better predictions?</p>",
      "rawMarkdown": "How would name help you make better predictions?",
      "votes": 2
    },
    {
      "id": 588816,
      "postDate": "2019-07-31T04:33:16.740Z",
      "content": "<p>You can get the chemical name by working with several of the libraries that users have shared in kernels.  I think you can get there in open babel for example.  At least I think that's the one I was using where I stumbled on the name - but handling real names not a skill set I have worked on yet so I zipped right by.</p>",
      "rawMarkdown": "You can get the chemical name by working with several of the libraries that users have shared in kernels.  I think you can get there in open babel for example.  At least I think that's the one I was using where I stumbled on the name - but handling real names not a skill set I have worked on yet so I zipped right by.",
      "replies": [
        {
          "id": 588818,
          "postDate": "2019-07-31T04:36:13.973Z",
          "content": "<p><a href=\"https://www.kaggle.com/korovai/molecular-structures-02\">https://www.kaggle.com/korovai/molecular-structures-02</a></p>\n\n<p>Just saw chemical name in this kernel</p>",
          "rawMarkdown": "https://www.kaggle.com/korovai/molecular-structures-02\n\nJust saw chemical name in this kernel"
        }
      ]
    },
    {
      "id": 588465,
      "postDate": "2019-07-30T15:54:53.763Z",
      "content": "<p>The prediction is strongly dependent on the chemical structure of molecule. Same atoms will get different coupling constants in a different chemical structure. The chemical names, such as dsgdb9nsd_000001, is totally meaningless.  If you can offer the real chemical names, such as methane rather than dsgdb9nsd_000001, better and more reliable prediction can be made.</p>",
      "rawMarkdown": "The prediction is strongly dependent on the chemical structure of molecule. Same atoms will get different coupling constants in a different chemical structure. The chemical names, such as dsgdb9nsd_000001, is totally meaningless.  If you can offer the real chemical names, such as methane rather than dsgdb9nsd_000001, better and more reliable prediction can be made.\n",
      "votes": -9
    },
    {
      "id": 588659,
      "postDate": "2019-07-30T21:50:27.067Z",
      "rawMarkdown": "",
      "isDeleted": true
    }
  ],
  "comments": [
    {
      "id": 588834,
      "author_name": "CPMP",
      "author_url": "",
      "post_date": "2019-07-31T05:32:51.373000",
      "content": "<p>How would name help you make better predictions?</p>",
      "votes": 2,
      "replies": []
    },
    {
      "id": 588816,
      "author_name": "PC Jimmmy",
      "author_url": "",
      "post_date": "2019-07-31T04:33:16.740000",
      "content": "<p>You can get the chemical name by working with several of the libraries that users have shared in kernels.  I think you can get there in open babel for example.  At least I think that's the one I was using where I stumbled on the name - but handling real names not a skill set I have worked on yet so I zipped right by.</p>",
      "votes": 0,
      "replies": [
        {
          "id": 588818,
          "author_name": "PC Jimmmy",
          "author_url": "",
          "post_date": "2019-07-31T04:36:13.973000",
          "content": "<p><a href=\"https://www.kaggle.com/korovai/molecular-structures-02\">https://www.kaggle.com/korovai/molecular-structures-02</a></p>\n\n<p>Just saw chemical name in this kernel</p>",
          "votes": 0,
          "replies": []
        }
      ]
    },
    {
      "id": 588659,
      "author_name": "",
      "author_url": "",
      "post_date": "2019-07-30T21:50:27.067000",
      "content": "",
      "votes": 0,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "588834": "How would name help you make better predictions?",
    "588816": "You can get the chemical name by working with several of the libraries that users have shared in kernels.  I think you can get there in open babel for example.  At least I think that's the one I was using where I stumbled on the name - but handling real names not a skill set I have worked on yet so I zipped right by.",
    "588465": "The prediction is strongly dependent on the chemical structure of molecule. Same atoms will get different coupling constants in a different chemical structure. The chemical names, such as dsgdb9nsd_000001, is totally meaningless.  If you can offer the real chemical names, such as methane rather than dsgdb9nsd_000001, better and more reliable prediction can be made.\n",
    "588659": ""
  }
}