@article{,
title= {PubChem3D Base},
journal= {},
author= {},
year= {},
url= {https://pubchem.ncbi.nlm.nih.gov/},
abstract= {This is an archive from PubChem, https://pubchem.ncbi.nlm.nih.gov/

This archive contains only the PubChem3D project, without the archive of "10 diverse conformers per compound" as this is much larger than the rest of the archive combined.  It corresponds to the backend FTP folder `ftp.ncbi.nlm.nih.gov/pubchem/Compound_3D`, without the subfolder `10_conf_per_cmpd`.  There are companion torrents for the contents of that folder, split into downloads in [ASN.1](https://academictorrents.com/details/da0f75a319889459290b606c417529d540bbce25), [SDF](https://academictorrents.com/details/e8858a82b1576251f822443eb02b7c3dc225e123), and [XML](https://academictorrents.com/details/3f14fd37df52729b3e7975b0339dce64e46e44c6) format.

From the README file in the folder root:

```
=-: PubChem Compound3D :-=

Please direct all questions to info@ncbi.nlm.nih.gov 

The PubChem3D project computes a theoretical 3-D description of PubChem
Compound records.  For more details, read the release notes:
    ftp://ftp.ncbi.nlm.nih.gov/pubchem/Compound_3D/Release_notes.txt

Also see our JChemInf thematic series on PubChem3D:
    http://www.springeropen.com/collections/PubChem3D


Found here are the sub-directories containing PubChem data in various file
formats.

01_conf_per_cmpd    -  PubChem3D Conformers, one diverse conformer per Compound
10_conf_per_cmpd    -  PubChem3D Conformers, ten diverse conformers per Compound

neighbors_3d        -  PubChem3D "Similar Conformers" neighbor pairs with ST and CT values (deprecated)

FP                  -  Reference shapes that define the PubChem3D Shape fingerprint  (deprecated)

ReferenceShape      -  Per analytic 3D volume [binned by rint(fvol)] reference shapes,
                       used to analyze the diversity of shape  (deprecated)

presentations       -  Presentations about the PubChem3D project that may be helpful.


For further assistance, please contact info@ncbi.nlm.nih.gov.


Thank you,

  - the PubChem team
```

To the extent it is a work of the United States Government, PubChem is in the public domain.  However, it includes data which may be under IP law, with the following disclaimer:

```
:-=  Fair Use Disclaimer  =-:

Databases of molecular data on the NCBI FTP site include such examples as
nucleotide sequences (GenBank), protein sequences, macromolecular structures,
molecular variation, gene expression, and mapping data. They are designed to
provide and encourage access within the scientific community to sources of
current and comprehensive information. Therefore, NCBI itself places no
restrictions on the use or distribution of the data contained therein. However,
some submitters of the original data may claim patent, copyright, or other
intellectual property rights in all or a portion of the data they have submitted.
NCBI is not in a position to assess the validity of such claims and, therefore,
cannot provide comment or unrestricted permission concerning the use, copying,
or distribution of the information contained in the molecular databases.
```
},
keywords= {us government, Chemistry, PubChem3D, Compound3D, PubChem, USG},
terms= {},
license= {},
superseded= {}
}