StoneMIND Collector - Information Extraction System

This section provides a quick introduction of StoneMIND Collector, a free OCSR (Optical Chemical Structure Recognition) software provided by Stonewise.

What Is StoneMIND Collector? - StoneMIND Collector is an information extraction system that allows you to extract chemical structures from patents and essays using OCSR (Optical Chemical Structure Recognition) and IUPAC (International Union of Pure and Applied Chemistry) methods. Results can be exported in computer-friendly formats (sdf/mol/smiles/xls) to set up your own chemical information database.

StoneMIND Collector can be used free of charge in two ways:

1. Client Module - Runs locally on your Windows or Mac computer. It allows you to take a screenshot of any 2D molecule diagram or IUPAC name, and perform optical recognition. The resulting molecule structure can revised and saved in SMILES or SDF format.

2. Web Interface - Runs remotely on Stonewise server. It allows you to upload an image or PDF file with molecule diagrams or IUPAC names, and perform optical recognition. The resulting molecule structures can revised and saved in SMILES or SDF format. The Web interface offers additional functionalities to do batch extraction of patents or essays.

For more information, visit Stonewise Website at https://www.stonewise.ai/mol_product.

Table of Contents

 About This Book

 SMILES (Simplified Molecular-Input Line-Entry System)

 Open Babel: The Open Source Chemistry Toolbox

 Using Open Babel Command: "obabel"

 Generating SVG Pictures with Open Babel

 Substructure Search with Open Babel

 Similarity Search with Open Babel

 Fingerprint Index for Fastsearch with Open Babel

 Stereochemistry with Open Babel

 Command Line Tools Provided by Open Babel

 RDKit: Open-Source Cheminformatics Software

 rdkit.Chem.rdchem - The Core Module

 rdkit.Chem.rdmolfiles - Molecular File Module

 rdkit.Chem.rdDepictor - Compute 2D Coordinates

 rdkit.Chem.Draw - Handle Molecule Images

 Molecule Substructure Search with RDKit

 rdkit.Chem.rdmolops - Molecule Operations

 Daylight Fingerprint Generator in RDKit

 Morgan Fingerprint Generator in RDKit

 RDKit Performance on Substructure Search

 Introduction to Molecular Fingerprints

OCSR (Optical Chemical Structure Recognition)

StoneMIND Collector - Information Extraction System

 Install StoneMIND Collector Client on Windows

 Use StoneMIND Collector on Windows

 Stop StoneMIND Collector on Windows

 Use StoneMIND Collector Web Interface

 AlphaFold - Protein Structure Prediction

 Resources and Tools

 Cheminformatics Related Terminologies

 References

 Full Version in PDF/EPUB