CITATION.cff

# Citation metadata — visible as the "Cite this repository" button on GitHub
cff-version: 1.2.0
title: "MolForge: a single-file browser-based chemical data platform"
message: "If you use MolForge in academic work, please cite it using the metadata below."
type: software
authors:
  - family-names: "Wang"
    given-names: "Lucia"
    email: "lucia.wang.chem@gmail.com"
    # orcid: "https://orcid.org/0000-0000-0000-0000"   # fill in after ORCID registration
repository-code: "https://github.com/lwang68/molforge"
url: "https://lwang68.github.io/molforge/"
version: "1.0.0"
date-released: "2026-04-22"
license: AGPL-3.0-or-later
keywords:
  - cheminformatics
  - medicinal-chemistry
  - SAR
  - ADME
  - MPO
  - kinase-selectivity
  - QSAR
  - RDKit
  - OpenChemLib
  - drug-discovery
abstract: >
  MolForge is a single-file, browser-based chemical data platform for
  medicinal chemistry. It provides compound management, structure editing,
  SAR analysis (scaffold & R-group decomposition, MMPA, activity landscape,
  chemical space), ADME prediction (25 endpoints), MPO scoring, kinase
  selectivity analysis with panel upload persistence, and AI/ML tools
  (AutoQSAR, bioisostere replacement, analog generation) — all running
  entirely client-side with no installation, no server, and no account.
  Compound data is embedded directly in the HTML file, making databases
  portable via email or file sharing.