{
  "id": 223218,
  "title": "🎊 🎉 Research Papers in Deep Learning and Chemical Structures (Image Data)🌟 ✨",
  "url": "/competitions/bms-molecular-translation/discussion/223218",
  "author_name": "Tensor Girl",
  "post_date": "2021-03-03T01:01:31.721000",
  "votes": 132,
  "comment_count": 31,
  "views": 0,
  "content": "<p>This thread contains a collection of Reseach papers in the intersection of Deep Learning and Chemical structures . I will be updating this thread frequently</p>\n<p><strong>Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently</strong></p>\n<p><a href=\"https://portlandpress.com/biochemj/article/477/23/4559/227194/Deep-learning-and-generative-methods-in\" target=\"_blank\">https://portlandpress.com/biochemj/article/477/23/4559/227194/Deep-learning-and-generative-methods-in</a></p>\n<p><strong>Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests</strong></p>\n<p><a href=\"https://pubs.acs.org/doi/10.1021/acs.jcim.9b00236\" target=\"_blank\">https://pubs.acs.org/doi/10.1021/acs.jcim.9b00236</a></p>\n<p><strong>Deep Learning of Atomically Resolved Scanning Transmission Electron Microscopy Images: Chemical Identification and Tracking Local Transformations</strong></p>\n<p><a href=\"https://www.osti.gov/servlets/purl/1427646\" target=\"_blank\">https://www.osti.gov/servlets/purl/1427646</a></p>\n<p><strong>Chemception: Deep Learning from 2D Chemical Structure Images</strong></p>\n<p><a href=\"https://depth-first.com/articles/2019/02/04/chemception-deep-learning-from-2d-chemical-structure-images/\" target=\"_blank\">https://depth-first.com/articles/2019/02/04/chemception-deep-learning-from-2d-chemical-structure-images/</a></p>\n<p><strong>Molecular Structure Extraction From Documents Using Deep Learning</strong></p>\n<p><a href=\"https://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf\" target=\"_blank\">https://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf</a></p>\n<p><strong>CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representations</strong></p>\n<p><a href=\"http://cucis.eecs.northwestern.edu/publications/pdf/PJA18.pdf\" target=\"_blank\">http://cucis.eecs.northwestern.edu/publications/pdf/PJA18.pdf</a></p>\n<p>If you find a interesting research papers in this context , feel free to share in the comments and I will update the thread.</p>\n<p>Good Luck to the competition !!!</p>",
  "messages": [
    {
      "id": 1224669,
      "postDate": "2021-03-03T01:01:31.720Z",
      "content": "<p>This thread contains a collection of Reseach papers in the intersection of Deep Learning and Chemical structures . I will be updating this thread frequently</p>\n<p><strong>Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently</strong></p>\n<p><a href=\"https://portlandpress.com/biochemj/article/477/23/4559/227194/Deep-learning-and-generative-methods-in\" target=\"_blank\">https://portlandpress.com/biochemj/article/477/23/4559/227194/Deep-learning-and-generative-methods-in</a></p>\n<p><strong>Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests</strong></p>\n<p><a href=\"https://pubs.acs.org/doi/10.1021/acs.jcim.9b00236\" target=\"_blank\">https://pubs.acs.org/doi/10.1021/acs.jcim.9b00236</a></p>\n<p><strong>Deep Learning of Atomically Resolved Scanning Transmission Electron Microscopy Images: Chemical Identification and Tracking Local Transformations</strong></p>\n<p><a href=\"https://www.osti.gov/servlets/purl/1427646\" target=\"_blank\">https://www.osti.gov/servlets/purl/1427646</a></p>\n<p><strong>Chemception: Deep Learning from 2D Chemical Structure Images</strong></p>\n<p><a href=\"https://depth-first.com/articles/2019/02/04/chemception-deep-learning-from-2d-chemical-structure-images/\" target=\"_blank\">https://depth-first.com/articles/2019/02/04/chemception-deep-learning-from-2d-chemical-structure-images/</a></p>\n<p><strong>Molecular Structure Extraction From Documents Using Deep Learning</strong></p>\n<p><a href=\"https://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf\" target=\"_blank\">https://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf</a></p>\n<p><strong>CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representations</strong></p>\n<p><a href=\"http://cucis.eecs.northwestern.edu/publications/pdf/PJA18.pdf\" target=\"_blank\">http://cucis.eecs.northwestern.edu/publications/pdf/PJA18.pdf</a></p>\n<p>If you find a interesting research papers in this context , feel free to share in the comments and I will update the thread.</p>\n<p>Good Luck to the competition !!!</p>",
      "rawMarkdown": "This thread contains a collection of Reseach papers in the intersection of Deep Learning and Chemical structures . I will be updating this thread frequently\n\n**Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently**\n\nhttps://portlandpress.com/biochemj/article/477/23/4559/227194/Deep-learning-and-generative-methods-in\n\n**Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests**\n\nhttps://pubs.acs.org/doi/10.1021/acs.jcim.9b00236\n\n**Deep Learning of Atomically Resolved Scanning Transmission Electron Microscopy Images: Chemical Identification and Tracking Local Transformations**\n\nhttps://www.osti.gov/servlets/purl/1427646\n\n**Chemception: Deep Learning from 2D Chemical Structure Images**\n\nhttps://depth-first.com/articles/2019/02/04/chemception-deep-learning-from-2d-chemical-structure-images/\n\n**Molecular Structure Extraction From Documents Using Deep Learning**\n\nhttps://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf\n\n**CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representations**\n\nhttp://cucis.eecs.northwestern.edu/publications/pdf/PJA18.pdf\n\n\nIf you find a interesting research papers in this context , feel free to share in the comments and I will update the thread.\n\nGood Luck to the competition !!!\n\n\n",
      "votes": 132
    },
    {
      "id": 1261287,
      "postDate": "2021-04-02T22:09:12.230Z",
      "content": "<p>Hey, <br>\ngreat post, this Paper (which currently still is a preprint) features a multilayer CNN to translate 2d images of chemical Structures to a Graph representation of the depicted Structure, which can be translated to a string like InchI or SMILES. According to the authors, their model has surpassed the accuracy of current Algorithms in the Task of Image based Structure prediction. <br>\nAlthough the authors used a Software generated Dataset (RDKit was used to build image data for training as well as testing, which is at least a little concerning in terms of overfitting), I think it`s a really good read and should be very helpfull in this competition. </p>\n<p><a href=\"https://arxiv.org/abs/2002.09914\" target=\"_blank\">https://arxiv.org/abs/2002.09914</a></p>",
      "rawMarkdown": "Hey, \ngreat post, this Paper (which currently still is a preprint) features a multilayer CNN to translate 2d images of chemical Structures to a Graph representation of the depicted Structure, which can be translated to a string like InchI or SMILES. According to the authors, their model has surpassed the accuracy of current Algorithms in the Task of Image based Structure prediction. \nAlthough the authors used a Software generated Dataset (RDKit was used to build image data for training as well as testing, which is at least a little concerning in terms of overfitting), I think it`s a really good read and should be very helpfull in this competition. \n\nhttps://arxiv.org/abs/2002.09914",
      "votes": 3
    },
    {
      "id": 1259844,
      "postDate": "2021-04-01T17:38:33.123Z",
      "content": "<p>Thank you for sharing  <a href=\"https://www.kaggle.com/usharengaraju\" target=\"_blank\">@usharengaraju</a> . I have a doubt. In paper <strong>Molecular Structure Extraction From Documents Using Deep Learning</strong> they used segmentation model also, Will it be helpful here as we have already images of chemical structures ?</p>\n<p>Thanks. </p>",
      "rawMarkdown": "Thank you for sharing  @usharengaraju . I have a doubt. In paper **Molecular Structure Extraction From Documents Using Deep Learning** they used segmentation model also, Will it be helpful here as we have already images of chemical structures ?\n\nThanks. ",
      "votes": 1
    },
    {
      "id": 1245098,
      "postDate": "2021-03-19T13:13:30.240Z",
      "content": "<p>Excellent cheminformatics resources, thank you!</p>",
      "rawMarkdown": "Excellent cheminformatics resources, thank you!",
      "votes": 1
    },
    {
      "id": 1235145,
      "postDate": "2021-03-11T21:41:28.163Z",
      "content": "<p>Just gone through every above mentioned papers, very very informative. Big shout out to <a href=\"https://www.kaggle.com/usharengaraju\" target=\"_blank\">@usharengaraju</a> for the awesome post.<br>\nThank you very much.</p>",
      "rawMarkdown": "Just gone through every above mentioned papers, very very informative. Big shout out to @usharengaraju for the awesome post.\nThank you very much.",
      "votes": 1
    },
    {
      "id": 1232375,
      "postDate": "2021-03-09T17:44:24.060Z",
      "content": "<p>Wow great!</p>",
      "rawMarkdown": "Wow great!",
      "votes": 1
    },
    {
      "id": 1231761,
      "postDate": "2021-03-09T08:21:25.780Z",
      "content": "<p>Thanks for Sharing <a href=\"https://www.kaggle.com/usharengaraju\" target=\"_blank\">@usharengaraju</a> 👍Will be very helpful for this competition to explore other architectures in similar field 😊</p>",
      "rawMarkdown": "Thanks for Sharing @usharengaraju 👍Will be very helpful for this competition to explore other architectures in similar field 😊",
      "votes": 1
    },
    {
      "id": 1226068,
      "postDate": "2021-03-04T07:52:56.990Z",
      "content": "<p>Thanks for sharing this amazing thread with everyone :)</p>",
      "rawMarkdown": "Thanks for sharing this amazing thread with everyone :)",
      "votes": 1
    },
    {
      "id": 1226029,
      "postDate": "2021-03-04T07:01:43.847Z",
      "content": "<p>Really helpful !</p>",
      "rawMarkdown": "Really helpful !",
      "votes": 1
    },
    {
      "id": 1225735,
      "postDate": "2021-03-03T21:38:31.540Z",
      "content": "<p>Thanks for sharing!  I'm a chemist by training so am really enjoying this competition. Good luck everyone :)</p>",
      "rawMarkdown": "Thanks for sharing!  I'm a chemist by training so am really enjoying this competition. Good luck everyone :)",
      "votes": 1,
      "replies": [
        {
          "id": 1226069,
          "postDate": "2021-03-04T07:53:24.450Z",
          "content": "<p>I wish you good luck :)</p>",
          "rawMarkdown": "I wish you good luck :)",
          "votes": 1
        }
      ]
    },
    {
      "id": 1225082,
      "postDate": "2021-03-03T09:42:06.923Z",
      "content": "<p>This is really helpful ma'am, thank you so much. </p>",
      "rawMarkdown": "This is really helpful ma'am, thank you so much. ",
      "votes": 1
    },
    {
      "id": 1224809,
      "postDate": "2021-03-03T04:49:34.600Z",
      "content": "<p>Interesting!!</p>",
      "rawMarkdown": "Interesting!!",
      "votes": 1
    },
    {
      "id": 1225395,
      "postDate": "2021-03-03T15:35:07.930Z",
      "content": "<p>Interesting!!👐</p>",
      "rawMarkdown": "Interesting!!👐",
      "votes": 2
    },
    {
      "id": 1224673,
      "postDate": "2021-03-03T01:11:45.183Z",
      "content": "<p>It's interesting how there aren't papers where the authors use <strong>InChl</strong>. I hope to find the reason soon. </p>",
      "rawMarkdown": "It's interesting how there aren't papers where the authors use **InChl**. I hope to find the reason soon. ",
      "votes": 2
    },
    {
      "id": 2899922,
      "postDate": "2024-07-01T23:40:19.290Z",
      "content": "<p>Great job !</p>",
      "rawMarkdown": "Great job !"
    },
    {
      "id": 1234140,
      "postDate": "2021-03-11T01:42:33.193Z",
      "rawMarkdown": "",
      "votes": 1,
      "isDeleted": true
    },
    {
      "id": 1231068,
      "postDate": "2021-03-08T16:38:34.663Z",
      "rawMarkdown": "",
      "isDeleted": true
    },
    {
      "id": 1237116,
      "postDate": "2021-03-13T19:05:11.860Z",
      "content": "<p>Thanks for sharing</p>",
      "rawMarkdown": "Thanks for sharing",
      "votes": 1
    },
    {
      "id": 1234617,
      "postDate": "2021-03-11T12:19:24.757Z",
      "content": "<p>Thank you! :)</p>",
      "rawMarkdown": "Thank you! :)",
      "votes": 1
    },
    {
      "id": 1231375,
      "postDate": "2021-03-08T22:57:47.800Z",
      "content": "<p>Thanks for sharing</p>",
      "rawMarkdown": "Thanks for sharing",
      "votes": 1
    },
    {
      "id": 1231314,
      "postDate": "2021-03-08T21:38:04.293Z",
      "content": "<p>Thanks for sharing. Nice info)</p>",
      "rawMarkdown": "Thanks for sharing. Nice info)",
      "votes": 1
    },
    {
      "id": 1230837,
      "postDate": "2021-03-08T13:54:14.703Z",
      "content": "<p>Thanks for sharing</p>",
      "rawMarkdown": "Thanks for sharing",
      "votes": 1
    },
    {
      "id": 1228455,
      "postDate": "2021-03-06T12:14:03.147Z",
      "content": "<p>Thanks for sharing!</p>",
      "rawMarkdown": "Thanks for sharing!",
      "votes": 1
    },
    {
      "id": 1228261,
      "postDate": "2021-03-06T08:29:32.433Z",
      "content": "<p>Thanks a lot!</p>",
      "rawMarkdown": "Thanks a lot!",
      "votes": 1
    },
    {
      "id": 1227659,
      "postDate": "2021-03-05T18:16:04.677Z",
      "content": "<p>Thanks for sharing…</p>",
      "rawMarkdown": "Thanks for sharing...",
      "votes": 1
    },
    {
      "id": 1227557,
      "postDate": "2021-03-05T16:43:55.690Z",
      "content": "<p>Thanks for sharing</p>",
      "rawMarkdown": "Thanks for sharing",
      "votes": 1
    },
    {
      "id": 1226399,
      "postDate": "2021-03-04T14:09:19.423Z",
      "content": "<p>Thanks for sharing</p>",
      "rawMarkdown": "Thanks for sharing",
      "votes": 1
    },
    {
      "id": 1226162,
      "postDate": "2021-03-04T09:29:25.340Z",
      "content": "<p>Thanks for sharing!</p>",
      "rawMarkdown": "Thanks for sharing!",
      "votes": 1
    },
    {
      "id": 1225699,
      "postDate": "2021-03-03T20:47:15.473Z",
      "content": "<p>Thanks for sharing 😁</p>",
      "rawMarkdown": "Thanks for sharing 😁",
      "votes": 1
    },
    {
      "id": 1225608,
      "postDate": "2021-03-03T18:35:04.750Z",
      "content": "<p>Thanks for sharing, very useful!</p>",
      "rawMarkdown": "Thanks for sharing, very useful!",
      "votes": 1
    },
    {
      "id": 1226741,
      "postDate": "2021-03-04T19:50:03.353Z",
      "content": "<p>Thanks for sharing. It helped a lot :)</p>",
      "rawMarkdown": "Thanks for sharing. It helped a lot :)",
      "votes": 2
    }
  ],
  "comments": [
    {
      "id": 1261287,
      "author_name": "Max Döner",
      "author_url": "",
      "post_date": "2021-04-02T22:09:12.230000",
      "content": "<p>Hey, <br>\ngreat post, this Paper (which currently still is a preprint) features a multilayer CNN to translate 2d images of chemical Structures to a Graph representation of the depicted Structure, which can be translated to a string like InchI or SMILES. According to the authors, their model has surpassed the accuracy of current Algorithms in the Task of Image based Structure prediction. <br>\nAlthough the authors used a Software generated Dataset (RDKit was used to build image data for training as well as testing, which is at least a little concerning in terms of overfitting), I think it`s a really good read and should be very helpfull in this competition. </p>\n<p><a href=\"https://arxiv.org/abs/2002.09914\" target=\"_blank\">https://arxiv.org/abs/2002.09914</a></p>",
      "votes": 3,
      "replies": []
    },
    {
      "id": 1259844,
      "author_name": "Shanmukh",
      "author_url": "",
      "post_date": "2021-04-01T17:38:33.123000",
      "content": "<p>Thank you for sharing  <a href=\"https://www.kaggle.com/usharengaraju\" target=\"_blank\">@usharengaraju</a> . I have a doubt. In paper <strong>Molecular Structure Extraction From Documents Using Deep Learning</strong> they used segmentation model also, Will it be helpful here as we have already images of chemical structures ?</p>\n<p>Thanks. </p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1245098,
      "author_name": "Alkylidene",
      "author_url": "",
      "post_date": "2021-03-19T13:13:30.240000",
      "content": "<p>Excellent cheminformatics resources, thank you!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1235145,
      "author_name": "Thrinesh Duvvuru",
      "author_url": "",
      "post_date": "2021-03-11T21:41:28.163000",
      "content": "<p>Just gone through every above mentioned papers, very very informative. Big shout out to <a href=\"https://www.kaggle.com/usharengaraju\" target=\"_blank\">@usharengaraju</a> for the awesome post.<br>\nThank you very much.</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1232375,
      "author_name": "Abhinav Padmawar",
      "author_url": "",
      "post_date": "2021-03-09T17:44:24.060000",
      "content": "<p>Wow great!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1231761,
      "author_name": "datajameson",
      "author_url": "",
      "post_date": "2021-03-09T08:21:25.780000",
      "content": "<p>Thanks for Sharing <a href=\"https://www.kaggle.com/usharengaraju\" target=\"_blank\">@usharengaraju</a> 👍Will be very helpful for this competition to explore other architectures in similar field 😊</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1226068,
      "author_name": "Puru Behl",
      "author_url": "",
      "post_date": "2021-03-04T07:52:56.990000",
      "content": "<p>Thanks for sharing this amazing thread with everyone :)</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1226029,
      "author_name": "SushovanHaldar",
      "author_url": "",
      "post_date": "2021-03-04T07:01:43.847000",
      "content": "<p>Really helpful !</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1225735,
      "author_name": "FraserDouglas",
      "author_url": "",
      "post_date": "2021-03-03T21:38:31.540000",
      "content": "<p>Thanks for sharing!  I'm a chemist by training so am really enjoying this competition. Good luck everyone :)</p>",
      "votes": 1,
      "replies": [
        {
          "id": 1226069,
          "author_name": "Puru Behl",
          "author_url": "",
          "post_date": "2021-03-04T07:53:24.450000",
          "content": "<p>I wish you good luck :)</p>",
          "votes": 1,
          "replies": []
        }
      ]
    },
    {
      "id": 1225082,
      "author_name": "TEnsorSAge",
      "author_url": "",
      "post_date": "2021-03-03T09:42:06.923000",
      "content": "<p>This is really helpful ma'am, thank you so much. </p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1224809,
      "author_name": "Pranav",
      "author_url": "",
      "post_date": "2021-03-03T04:49:34.600000",
      "content": "<p>Interesting!!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1225395,
      "author_name": "maoz ragab",
      "author_url": "",
      "post_date": "2021-03-03T15:35:07.930000",
      "content": "<p>Interesting!!👐</p>",
      "votes": 2,
      "replies": []
    },
    {
      "id": 1224673,
      "author_name": "Hiram Coria 🧬",
      "author_url": "",
      "post_date": "2021-03-03T01:11:45.183000",
      "content": "<p>It's interesting how there aren't papers where the authors use <strong>InChl</strong>. I hope to find the reason soon. </p>",
      "votes": 2,
      "replies": []
    },
    {
      "id": 2899922,
      "author_name": "Phytate",
      "author_url": "",
      "post_date": "2024-07-01T23:40:19.290000",
      "content": "<p>Great job !</p>",
      "votes": 0,
      "replies": []
    },
    {
      "id": 1234140,
      "author_name": "",
      "author_url": "",
      "post_date": "2021-03-11T01:42:33.193000",
      "content": "",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1231068,
      "author_name": "",
      "author_url": "",
      "post_date": "2021-03-08T16:38:34.663000",
      "content": "",
      "votes": 0,
      "replies": []
    },
    {
      "id": 1237116,
      "author_name": "Mukul Kumar",
      "author_url": "",
      "post_date": "2021-03-13T19:05:11.860000",
      "content": "<p>Thanks for sharing</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1234617,
      "author_name": "dwagga",
      "author_url": "",
      "post_date": "2021-03-11T12:19:24.757000",
      "content": "<p>Thank you! :)</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1231375,
      "author_name": "Nurul Islam",
      "author_url": "",
      "post_date": "2021-03-08T22:57:47.800000",
      "content": "<p>Thanks for sharing</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1231314,
      "author_name": "Alexey Khanevsky",
      "author_url": "",
      "post_date": "2021-03-08T21:38:04.293000",
      "content": "<p>Thanks for sharing. Nice info)</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1230837,
      "author_name": "Jihack_Lee",
      "author_url": "",
      "post_date": "2021-03-08T13:54:14.703000",
      "content": "<p>Thanks for sharing</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1228455,
      "author_name": "insilicomab",
      "author_url": "",
      "post_date": "2021-03-06T12:14:03.147000",
      "content": "<p>Thanks for sharing!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1228261,
      "author_name": "Yolanda",
      "author_url": "",
      "post_date": "2021-03-06T08:29:32.433000",
      "content": "<p>Thanks a lot!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1227659,
      "author_name": "Amol Ambkar",
      "author_url": "",
      "post_date": "2021-03-05T18:16:04.677000",
      "content": "<p>Thanks for sharing…</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1227557,
      "author_name": "KennyChan",
      "author_url": "",
      "post_date": "2021-03-05T16:43:55.690000",
      "content": "<p>Thanks for sharing</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1226399,
      "author_name": "Seokjun",
      "author_url": "",
      "post_date": "2021-03-04T14:09:19.423000",
      "content": "<p>Thanks for sharing</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1226162,
      "author_name": "Abishek Sudarshan",
      "author_url": "",
      "post_date": "2021-03-04T09:29:25.340000",
      "content": "<p>Thanks for sharing!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1225699,
      "author_name": "Satori",
      "author_url": "",
      "post_date": "2021-03-03T20:47:15.473000",
      "content": "<p>Thanks for sharing 😁</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1225608,
      "author_name": "Old Monk",
      "author_url": "",
      "post_date": "2021-03-03T18:35:04.750000",
      "content": "<p>Thanks for sharing, very useful!</p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 1226741,
      "author_name": "",
      "author_url": "",
      "post_date": "2021-03-04T19:50:03.353000",
      "content": "",
      "votes": 2,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "1224669": "This thread contains a collection of Reseach papers in the intersection of Deep Learning and Chemical structures . I will be updating this thread frequently\n\n**Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently**\n\nhttps://portlandpress.com/biochemj/article/477/23/4559/227194/Deep-learning-and-generative-methods-in\n\n**Learning Drug Functions from Chemical Structures with Convolutional Neural Networks and Random Forests**\n\nhttps://pubs.acs.org/doi/10.1021/acs.jcim.9b00236\n\n**Deep Learning of Atomically Resolved Scanning Transmission Electron Microscopy Images: Chemical Identification and Tracking Local Transformations**\n\nhttps://www.osti.gov/servlets/purl/1427646\n\n**Chemception: Deep Learning from 2D Chemical Structure Images**\n\nhttps://depth-first.com/articles/2019/02/04/chemception-deep-learning-from-2d-chemical-structure-images/\n\n**Molecular Structure Extraction From Documents Using Deep Learning**\n\nhttps://arxiv.org/ftp/arxiv/papers/1802/1802.04903.pdf\n\n**CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representations**\n\nhttp://cucis.eecs.northwestern.edu/publications/pdf/PJA18.pdf\n\n\nIf you find a interesting research papers in this context , feel free to share in the comments and I will update the thread.\n\nGood Luck to the competition !!!\n\n\n",
    "1261287": "Hey, \ngreat post, this Paper (which currently still is a preprint) features a multilayer CNN to translate 2d images of chemical Structures to a Graph representation of the depicted Structure, which can be translated to a string like InchI or SMILES. According to the authors, their model has surpassed the accuracy of current Algorithms in the Task of Image based Structure prediction. \nAlthough the authors used a Software generated Dataset (RDKit was used to build image data for training as well as testing, which is at least a little concerning in terms of overfitting), I think it`s a really good read and should be very helpfull in this competition. \n\nhttps://arxiv.org/abs/2002.09914",
    "1259844": "Thank you for sharing  @usharengaraju . I have a doubt. In paper **Molecular Structure Extraction From Documents Using Deep Learning** they used segmentation model also, Will it be helpful here as we have already images of chemical structures ?\n\nThanks. ",
    "1245098": "Excellent cheminformatics resources, thank you!",
    "1235145": "Just gone through every above mentioned papers, very very informative. Big shout out to @usharengaraju for the awesome post.\nThank you very much.",
    "1232375": "Wow great!",
    "1231761": "Thanks for Sharing @usharengaraju 👍Will be very helpful for this competition to explore other architectures in similar field 😊",
    "1226068": "Thanks for sharing this amazing thread with everyone :)",
    "1226029": "Really helpful !",
    "1225735": "Thanks for sharing!  I'm a chemist by training so am really enjoying this competition. Good luck everyone :)",
    "1225082": "This is really helpful ma'am, thank you so much. ",
    "1224809": "Interesting!!",
    "1225395": "Interesting!!👐",
    "1224673": "It's interesting how there aren't papers where the authors use **InChl**. I hope to find the reason soon. ",
    "2899922": "Great job !",
    "1234140": "",
    "1231068": "",
    "1237116": "Thanks for sharing",
    "1234617": "Thank you! :)",
    "1231375": "Thanks for sharing",
    "1231314": "Thanks for sharing. Nice info)",
    "1230837": "Thanks for sharing",
    "1228455": "Thanks for sharing!",
    "1228261": "Thanks a lot!",
    "1227659": "Thanks for sharing...",
    "1227557": "Thanks for sharing",
    "1226399": "Thanks for sharing",
    "1226162": "Thanks for sharing!",
    "1225699": "Thanks for sharing 😁",
    "1225608": "Thanks for sharing, very useful!",
    "1226741": "Thanks for sharing. It helped a lot :)"
  }
}