Mandos
A pragmatic tool for cheminformatics and drug discovery.
Example:
cat "VREFGVBLTWBCJP-UHFFFAOYSA-N" > compounds.txt
mandos search mechanism,activity,atc,trial,predicted compounds.txt
It will output a CSV file containing extended data and a simple text file of compound–predicate–object triples:
CHEMBL661 (alprazolam) positive allosteric modulator CHEMBL2093872 (GABA-A receptor; anion channel)
CHEMBL661 (alprazolam) activity at CHEMBL2093872 (GABA-A receptor; anion channel)
CHEMBL661 (alprazolam) activity at CHEMBL2096986 (Cholecystokinin receptor)
CHEMBL661 (alprazolam) activity at CHEMBL4106143 (BRD4/HDAC1)
CHEMBL661 (alprazolam) predicted at CHEMBL2094116 (Serotonin 3 (5-HT3) receptor)
CHEMBL661 (alprazolam) predicted at CHEMBL4430 (Cytochrome P450 17A1)
CHEMBL661 (alprazolam) phase-3 trial for D012559 (Schizophrenia)
CHEMBL661 (alprazolam) phase-4 trial for D016584 (Panic Disorder)
CHEMBL661 (alprazolam) phase-4 trial for D016584 (Anxiety Disorders)
CHEMBL661 (alprazolam) has ATC L3 code N05B (ANXIOLYTICS)
CHEMBL661 (alprazolam) has ATC L4 code N05BA (Benzodiazepine derivatives)
See the docs for more info.
New issues and pull requests are welcome. Please refer to the contributing guide. Generated with Tyrannosaurus.
1 maintainer
Metadata
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Release files for mandos 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| mandos-0.1.0.tar.gz | 1.1 MB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| mandos-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 2.2 MB
Release files / mandos-0.1.0.tar.gz
| Download URL | mandos-0.1.0.tar.gz |
|---|---|
| Size | 1.1 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
28d896f88905fe16210e08f6c98fab368b6056bd3dd25372cd441224b99bd504
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BLAKE2b-256 checksum How to use checksums |
4550a52adf347615f8dadb5ac15d65c91bb49bfe32866401561a9a6a075634b2
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.0.10 CPython/3.8.5 Linux/5.4.0-1025-azure
|
Release files / mandos-0.1.0-py3-none-any.whl
| Download URL | mandos-0.1.0-py3-none-any.whl |
|---|---|
| Size | 1.1 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
cf87c179e2a984dffb539d1f625c2531c34346788585418e2a3910fc93ec126f
|
|
BLAKE2b-256 checksum How to use checksums |
cdd1b5e517f3601ce8d528d16bf7cd0d368f643180c8462834082db439e2fb3c
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.0.10 CPython/3.8.5 Linux/5.4.0-1025-azure
|
Security for mandos 0.1.0
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No provenance found
None of the files in this release were uploaded with provenance metadata.
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