\n
![\"WEIRD](\"https://i.ibb.co/HhfNCs8/Screen-Shot-2021-03-12-at-11-53-46-AM.png\")
Hi there.
\nI thought I'd start this thread to allow people to post images that they think are weird or unusual. Others with more domain expertise can then chime in and let us know what's really going on.
\nI'll start it off with this image from row 1477366 of the training data. It does not resemble the skeletal drawings I've seen of molecules in the past and in this competition. Can anyone offer some clarity?
\n
RELEVANT INFO
\n\"image_id\" = 9bf340bbb4dc\n\"InChI\" = InChI=1S/C11H20N2/c1-11(4-5-11)13-9-2-3-10(13)7-8(12)6-9/h8-10H,2-7,12H2,1H3\nPHOTO
\n
Hi there.
\nI thought I'd start this thread to allow people to post images that they think are weird or unusual. Others with more domain expertise can then chime in and let us know what's really going on.
\nI'll start it off with this image from row 1477366 of the training data. It does not resemble the skeletal drawings I've seen of molecules in the past and in this competition. Can anyone offer some clarity?
\n
RELEVANT INFO
\n\"image_id\" = 9bf340bbb4dc\n\"InChI\" = InChI=1S/C11H20N2/c1-11(4-5-11)13-9-2-3-10(13)7-8(12)6-9/h8-10H,2-7,12H2,1H3\nPHOTO
\n
it looks like a rock painting) … rdkit draws a little differently!
", "rawMarkdown": "it looks like a rock painting) ... *rdkit* draws a little [differently](https://www.kaggle.com/sapr3s/inchi-samples#1)!", "votes": null }, { "id": "1236042", "postDate": "03/12/2021 17:42:07", "content": "Wow. Yeah, that's way different… but also kinda the same. I Also hadn't seen rdkit before… definitely checking it out.
\nps. Loving the Totoro avatar.
", "rawMarkdown": "Wow. Yeah, that's way different... but also kinda the same. I Also hadn't seen rdkit before... definitely checking it out.\n\nps. Loving the Totoro avatar.", "votes": null }, { "id": "1236332", "postDate": "03/13/2021 02:51:05", "content": "It may also be helpful for you to see the molecule in 3D to understand why it's difficult to draw. Here you go: https://pubchem.ncbi.nlm.nih.gov/compound/116194773#section=3D-Conformer
\nCorrectly intepreting these \"3D drawings\" is one of the big challenges of this competition in my opinion
", "rawMarkdown": "It may also be helpful for you to see the molecule in 3D to understand why it's difficult to draw. Here you go: https://pubchem.ncbi.nlm.nih.gov/compound/116194773#section=3D-Conformer\n\nCorrectly intepreting these \"3D drawings\" is one of the big challenges of this competition in my opinion", "votes": null }, { "id": "1236358", "postDate": "03/13/2021 03:51:39", "content": "Are you confused about the structure in the middle?
\nokay so from the organic chem i remember from >4 years ago, we have a cyclohexane-like structure drawn in a chair conformation, except the nitrogen replaces one of the carbons.
\nsee this:
\n![\"\"](\"https://www.dummies.com/wp-content/uploads/458187.image0.jpg\")
Bond lines crossing are legitimate. See an example on page 3 of \"InChI, the IUPAC International Chemical Identifier\"
", "rawMarkdown": "Bond lines crossing are legitimate. See an example on page 3 of [\"InChI, the IUPAC International Chemical Identifier\"](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-015-0068-4)", "votes": null }, { "id": "1236502", "postDate": "03/13/2021 07:35:53", "content": "is it a bond lin between N and NH3 ?
", "rawMarkdown": "is it a bond lin between N and NH3 ?", "votes": null } ], "comments": [ { "id": 1236036, "author_name": "sapr3s", "author_url": "", "post_date": "03/12/2021 17:38:22", "content": "it looks like a rock painting) … rdkit draws a little differently!
", "votes": null, "replies": [ { "id": 1236042, "author_name": "dschettler8845", "author_url": "", "post_date": "03/12/2021 17:42:07", "content": "Wow. Yeah, that's way different… but also kinda the same. I Also hadn't seen rdkit before… definitely checking it out.
\nps. Loving the Totoro avatar.
", "votes": null, "replies": [] }, { "id": 1236332, "author_name": "matthewmasters", "author_url": "", "post_date": "03/13/2021 02:51:05", "content": "It may also be helpful for you to see the molecule in 3D to understand why it's difficult to draw. Here you go: https://pubchem.ncbi.nlm.nih.gov/compound/116194773#section=3D-Conformer
\nCorrectly intepreting these \"3D drawings\" is one of the big challenges of this competition in my opinion
", "votes": null, "replies": [] } ] }, { "id": 1236358, "author_name": "tanlikesmath", "author_url": "", "post_date": "03/13/2021 03:51:39", "content": "Are you confused about the structure in the middle?
\nokay so from the organic chem i remember from >4 years ago, we have a cyclohexane-like structure drawn in a chair conformation, except the nitrogen replaces one of the carbons.
\nsee this:
\n
Bond lines crossing are legitimate. See an example on page 3 of \"InChI, the IUPAC International Chemical Identifier\"
", "votes": null, "replies": [] }, { "id": 1236502, "author_name": "siddharthalashi", "author_url": "", "post_date": "03/13/2021 07:35:53", "content": "is it a bond lin between N and NH3 ?
", "votes": null, "replies": [] } ], "raw_markdown_by_id": { "1236006": "Hi there.\n\nI thought I'd start this thread to allow people to post images that they think are weird or unusual. Others with more domain expertise can then chime in and let us know what's really going on.\n\nI'll start it off with this image from row **`1477366`** of the training data. It does not resemble the skeletal drawings I've seen of molecules in the past and in this competition. Can anyone offer some clarity?\n\n---\n\n\n\n**RELEVANT INFO**\n```\n\"image_id\" = 9bf340bbb4dc\n\"InChI\" = InChI=1S/C11H20N2/c1-11(4-5-11)13-9-2-3-10(13)7-8(12)6-9/h8-10H,2-7,12H2,1H3\n```\n\n\n\n---\n\n**PHOTO**\n\n\n---", "1236036": "it looks like a rock painting) ... *rdkit* draws a little [differently](https://www.kaggle.com/sapr3s/inchi-samples#1)!", "1236042": "Wow. Yeah, that's way different... but also kinda the same. I Also hadn't seen rdkit before... definitely checking it out.\n\nps. Loving the Totoro avatar.", "1236332": "It may also be helpful for you to see the molecule in 3D to understand why it's difficult to draw. Here you go: https://pubchem.ncbi.nlm.nih.gov/compound/116194773#section=3D-Conformer\n\nCorrectly intepreting these \"3D drawings\" is one of the big challenges of this competition in my opinion", "1236358": "Are you confused about the structure in the middle?\n\nokay so from the organic chem i remember from >4 years ago, we have a cyclohexane-like structure drawn in a chair conformation, except the nitrogen replaces one of the carbons.\n\nsee this:\n", "1236474": "Bond lines crossing are legitimate. See an example on page 3 of [\"InChI, the IUPAC International Chemical Identifier\"](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-015-0068-4)", "1236502": "is it a bond lin between N and NH3 ?" }, "source": "meta" }