Descriptor Fingerprint Feature Engineering

---
name: descriptor-fingerprint-feature-engineering
description: Use when use when the workflow requires descriptor-fingerprint-feature-engineering.
license: CC-BY-4.0
metadata:
  edam_topics: []
  tools:
  - alvaDesc
  license_tier: restricted
  provenance_tier: literature
derived_from:
- doi: 10.1186/s13321-022-00613-8
  title: cmmrt
evidence_spans:
- 5,666 molecular descriptors and 2,214 fingerprints (MACCS166, Extended Connectivity,
  and Path Fingerprints fingerprints) were generated with the alvaDesc software
claims: []
provenance:
  collection: https://w3id.org/holobiomicslab/asb-skill/collection/metabolomics/v2
  assembled_by: scripts/collect_metabolomics_collection.py
  sources:
  - build: coll_cmmrt
    doi: 10.1186/s13321-022-00613-8
    title: cmmrt
  dedup_kept_from: coll_cmmrt
schema_version: 0.2.0
attribution:
  generator: AgenticScienceBuilder
  original_doi: 10.1186/s13321-022-00613-8
  all_source_dois:
  - 10.1186/s13321-022-00613-8
  zenodo_doi: 10.5281/zenodo.20794027
  curators: []
  promoter: Louis-Félix Nothias
  sponsor: CNRS & Université Côte d'Azur
---

# descriptor-fingerprint-feature-engineering

> **License: restricted** — no clear open-source license detected for the underlying tool; verify licensing before commercial use or redistribution. <!-- asb-license-banner -->
## When to use

Use when the workflow requires descriptor-fingerprint-feature-engineering.