spectrophore

Category

Therapeutics

Subcategory

unknown

License

GPL-3.0(osi)

Status

dormant

Maturity

deployed

Organization

unknown

Country

unknown

Homepage

unknown

Repository

github.com/silicos-it/spectrophore

Documentation

unknown

Tags

cheminformatics · descriptors · electrophilicity · electrostatics · lipophilicity · shape · spectrophore · uamc

Regulatory

unknown

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

• qedcheminformatics · descriptors · uamc

  The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit

• Computer_aided_drug_discovery_kitdescriptors

  This pipeline provides a way to perform pharmaceutical compounds virtual screening using similarity-based analysis, ligand-based and structure-based techniques. The pipeline contains a collections…

• AccFGcheminformatics

  [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison

• AD-scRNA2QSARcheminformatics

  A comprehensive computational pipeline that bridges single-cell genomics and cheminformatics to accelerate Alzheimer's Disease research. This project integrates advanced bioinformatics and machine…

• ADMET_calculationscheminformatics

  ADMET calculations from different research paper and a goal to make it memory efficent with ML implementations.

• admetMesh-Botcheminformatics

  :robot: Use GitHub Actions and admetMesh to predict admet automatically per 30 minutes.

1. api.github.com/repos/silicos-it/spectrophore
   retrieved 2026-08-25 · via github-api

   Machine-imported from GitHub search. Last push 2024-09-19, 7 stars, license reported as GPL-3.0. Category and schematic were assigned by keyword heuristics and are unreviewed.

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/v1/entries/23.json→ .entries["spectrophore"]

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