SMSD Pro — Small Molecule Subgraph Detector
Copyright (c) 2018-2026 BioInception PVT LTD
Algorithm Copyright (c) 2009-2026 Syed Asad Rahman

This product includes software developed by Syed Asad Rahman
at BioInception PVT LTD (https://github.com/asad/SMSD).

ACADEMIC CITATION
=================
If you use SMSD Pro in academic research, please cite:

  Rahman SA, Bashton M, Holliday GL, Schrader R, Thornton JM.
  Small Molecule Subgraph Detector (SMSD) toolkit.
  Journal of Cheminformatics, 1:12, 2009.
  DOI: 10.1186/1758-2946-1-12

A machine-readable citation file (CITATION.cff) is included in
the repository for automated citation tools.

COMMERCIAL ATTRIBUTION
======================
If you redistribute SMSD Pro or include it in a commercial product,
the Apache License 2.0 (Section 4d) requires you to:

  1. Include a copy of this NOTICE file in your distribution
  2. Retain all copyright and attribution notices

We also request (but do not require) the following attribution
in your product documentation, About screen, or website:

  "Powered by SMSD Pro — https://github.com/asad/SMSD
   Copyright (c) BioInception PVT LTD"

TRADEMARK NOTICE
================
"SMSD"(TM), "SMSD Pro"(TM), and the BioInception molecular graph
logo(TM) are unregistered trademarks of Syed Asad Rahman /
BioInception PVT LTD. You may not use these marks to endorse or
promote products derived from this software without prior written
permission from the copyright holder.

NOVEL ALGORITHMS
================
The following algorithms implemented in this software are original
works by Syed Asad Rahman:

  1. Tautomer-aware circular fingerprint with pKa-informed atom
     invariants (ECFP/FCFP with tautomer class integration)
  2. 11-level MCS funnel with chain/tree DP fast-paths
  3. Henderson-Hasselbalch pH-dependent tautomer relevance weighting
  4. Tier 2 solvent-dependent pKa corrections for tautomer matching
  5. VF2++ with 3-level NLF pruning and GPU-accelerated domain
     initialisation (CUDA + Apple Metal)

THIRD-PARTY NOTICES
===================
This software uses the Chemistry Development Kit (CDK) licensed
under LGPL 2.1. CDK is Copyright (c) The CDK Project.
See https://cdk.github.io/ for details.

AVAILABLE PLATFORMS
===================
  Java:   com.bioinceptionlabs:smsd on Maven Central
  Python: pip install smsd (PyPI)
  C++:    Header-only library (cpp/include/smsd/)
  Docker: ghcr.io/asad/smsd
