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The US National Library of Medicine provide an annual baseline of PubMed Abstracts freely available for download, along with daily updates throughout the year. You can download the baseline with a command such as the following, if you have wget available:wget...
When Roger described his latest project, a grammar for the heraldic language known as blazonry, I immediately said “what a great idea!”. Well, not exactly. But it turns out that it’s a nice example of how our text-mining software LeadMine...
I recently gave a talk at the Washington ACS on a reaction database and search system: Pistachio. We built Pistachio to browse and search reactions extracted from patents. The system brings together many of our existing products and technology components including:...

Most popular posts

CC[C@](CO)([H])[14CH2]CThe CIP (Cahn-Ingold-Prelog) priority rules are used to assign R and S labels to stereocentres. However it is known to be very prone to mis-implementation:The CIP System Again:? Respecting Hierarchies Is Always a MustThrough our work...
I attended the ever-excellent Sheffield Cheminformatics – sorry – Chemoinformatics Conference last week where I presented a poster on Sugar & Splice, Macromolecules or Big Small-Molecules? Handling Biopolymers in a Chemical Registry System...
In an earlier post, I described a simple procedure to generate a hierarchy of substructures, and depicted the hierarchy with GraphViz. Pat Walters at Vertex realised that it is possible to add images as node labels in GraphViz and updated the script so that...

Latest posts linking here

I'm please to announce that my PhD thesis is now available from the Cambridge DSpace repository: https://www.repository.cam.ac.uk/handle/1810/246652. One thing potentially of note is the description of fast Kekulisation that I originally intended to write as...
Conferences are all about communication. But what can and cannot be communicated at a conference, or rather what should and should not? Probably top of the list of "should not" is to use inappropriate examples or images to liven up proceedings. Recently I attended...
Because of the relationship between SMILES and SMARTS, there are some fun tricks you can do (for some value of fun). For example, over at the NextMove blog I have written about creating a substructure hierarchy (here and here). Here's another example I came...