Synthetically Accessible Virtual Inventory (SAVI) Database -- Negn file sets

Download the Neg classes


Neg0 files
SAVI-2020 structures that experienced at least one small scoring decrement of <10 but none ≥10.

1. TAB-delimited SMILES table in text format for Neg0: 1 tar file containing 8 gzipped files.

Download neg0 File 1 of 1

2. SD file for Neg0: 1 tar file containing 8 gzipped files.

Download neg0 File 1 of 1

Neg10 files
SAVI-2020 structures that experienced at least one mild scoring decrement of <20 but none ≥20.

1. TAB-delimited SMILES tables in text format for Neg10: 3 tar files containing a total of 556 gzipped files. The tar files are roughly 8 GB each, and uncompress to roughly 80 GB each.

Download neg10 File 1 of 3

Download neg10 File 2 of 3

Download neg10 File 3 of 3

2. SD files for Neg10: 3 tar files containing a total of 556 gzipped files. The tar files are roughly 20 GB each and uncompress to roughly 200 GB each.

Download neg10 File 1 of 3

Download neg10 File 2 of 3

Download neg10 File 3 of 3

Neg20 files
SAVI-2020 structures that experienced at least one moderate scoring decrement of <30 but none ≥30.

1. TAB-delimited SMILES tables in text format for Neg20: 5 tar files containing a total of 827 gzipped files. The tar files are roughly 8 GB each and uncompress to roughly 80 GB each.

Download neg20 File 1 of 5

Download neg20 File 2 of 5

Download neg20 File 3 of 5

Download neg20 File 4 of 5

Download neg20 File 5 of 5

2. SD files for Neg20: 5 tar files containing a total of 827 gzipped files. The tar files are roughly 20 GB each and uncompress to roughly 200 GB each.

Download neg20 File 1 of 5

Download neg20 File 2 of 5

Download neg20 File 3 of 5

Download neg20 File 4 of 5

Download neg20 File 5 of 5

Neg30 files
SAVI-2020 structures that experienced at least one severe scoring decrement of ≥30.

1. TAB-delimited SMILES tables in text format for Neg30: 26 tar files containing a total of 5182 gzipped files. The tar files are roughly 8 GB each and uncompress to roughly 80 GB each.

Download neg30 File 1 of 26

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2. SD files for Neg30: 26 tar files containing a total of 5182 gzipped files. The tar files are roughly 20 GB each and uncompress to roughly 200 GB each.

Download neg30 File 1 of 26

Download neg30 File 2 of 26

Download neg30 File 3 of 26

Download neg30 File 4 of 26

Download neg30 File 5 of 26

Download neg30 File 6 of 26

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Download neg30 File 8 of 26

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Download neg30 File 11 of 26

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Disclaimer

All structures ("SAVI Products") and associated information downloadable from here are placed in the public domain. They may be freely used for any purpose without restrictions by any individual or organization. At the same time, we, i.e. the U.S. Government, NIH, NCI, and their employees and contractors do not make any warranty, express or implied, including the warranties of merchantability and fitness for a particular purpose with respect to any of the SAVI Products and associated information, nor assume any legal liability for the accuracy, completeness, or usefulness of any information disclosed herein and do not represent that use of such information would not infringe on privately owned rights. See also our general Disclaimer.


M. C. Nicklaus

Last Update: 2020-05-10