Description:
The Morgan Fingerprints, or extended connectivity fingerprints (ECFP4) are one of the most widely used molecular representations. They are circular representations (from an atom, search the atoms around with a radius n) and can have thousands of features. This implementation uses the RDKit package and is done with radius 3 and 2048 dimensions.
- Ersilia Identifier:
eos5axz - Slug:
morgan-counts
- Task: Representation
- Subtask: Featurization
- Biomedical Area: Any
- Target Organism: Not Applicable
- Tags: Fingerprint, Descriptor
- Input: Compound
- Input Dimension: 1
-
Output:
-
Output Dimension: 2048
-
Output Consistency: Fixed
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Interpretation: Vector representation of a molecule
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Output Columns (up to 10):
| Name | Type | Direction | Description |
|---|---|---|---|
| dim_0000 | integer | Morgan count fingeprint dimension 0 with radius 3 and 2048 bits | |
| dim_0001 | integer | Morgan count fingeprint dimension 1 with radius 3 and 2048 bits | |
| dim_0002 | integer | Morgan count fingeprint dimension 2 with radius 3 and 2048 bits | |
| dim_0003 | integer | Morgan count fingeprint dimension 3 with radius 3 and 2048 bits | |
| dim_0004 | integer | Morgan count fingeprint dimension 4 with radius 3 and 2048 bits | |
| dim_0005 | integer | Morgan count fingeprint dimension 5 with radius 3 and 2048 bits | |
| dim_0006 | integer | Morgan count fingeprint dimension 6 with radius 3 and 2048 bits | |
| dim_0007 | integer | Morgan count fingeprint dimension 7 with radius 3 and 2048 bits | |
| dim_0008 | integer | Morgan count fingeprint dimension 8 with radius 3 and 2048 bits | |
| dim_0009 | integer | Morgan count fingeprint dimension 9 with radius 3 and 2048 bits |
Total columns: 2048
- Source: Local
- Source Type: External
- DockerHub
- Docker Architecture: AMD64, ARM64
- S3 Storage
- Model Size: 1
- Environment Size: 496
- Source Code
- Publication
- Publication Type: Peer reviewed
- Publication Year: 2010
- Ersilia Contributor: miquelduranfrigola
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a BSD-3.0 license.
Notice: Ersilia grants access to these models 'as is' provided by the original authors, please refer to the original code repository and/or publication if you use the model in your research.
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