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Automated Extraction of Chemical Information from the Scientific Literature

Slides for a talk I gave at the Cambridge Cheminformatics Network meeting.

Chemical Structure Handling in MongoDB

Slides for a talk I gave at the Cambridge Cheminformatics Network meeting.

myChEMBL on Mac OS X

Hacking the myChEMBL virtual machine to install on Mac OS X.

Chemical Similarity Search in MongoDB

How to implement chemical similarity search in MongoDB along with some performance benchmarks.

Homebrew Cheminformatics

Cheminformatics formulae for the Homebrew package manager.

A Custom Writer Class for JsonCpp

Custom output formatting for the C++ JSON library.

Simple Versioned Backups for MongoDB

A python script for snapshot backups of a MongoDB database.

Extract XMP metadata from PDFs in Python

A lightweight XMP parser for extracting PDF metadata in Python.

CIRpy: A Python Interface for the NCI Chemical Identifier Resolver

Resolve identifiers to various chemical formats in Python.

Making the Internet Robot-friendly

Microdata!

Software Review of chemicalize.org

A review of ChemAxon's chemicalize.org service.

ChemSpiPy: A Python Wrapper for the ChemSpider API

Search ChemSpider with Python.