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Keen readers of the blog will have noticed a recent series of blog posts on the topic of PubChem and sequence databases. This was in preparation for my recent ACS presentation on “PubChem as a biologics database” (see below), the goal of which was...
Roger, John and I will be presenting talks and a poster at the upcoming 254th ACS National Meeting in Washington. It’s always great to reconnect with people we know, but also see new faces, so say hi if you see us (and ask us for some bandit stickers!).CINF...
The term patent family is generally used to describe a set of patents that cover the same invention but which are filed with different patent authorities. Here instead we look at finding groups of patents within a single authority (the USPTO) where the patents...

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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...
The example source code often provided with cheminformatics librariesto demonstrate the available functionality often try to address twoconflicting requirements. On the one hand, these attempt to bepedagogical teaching examples, explaining how to perform a...
Wikipedia is a highly useful source of Chemistry and also of chemical nomenclature. A limitation in chemical name to structure software, such as OPSIN, is that trivial names that are similar to systematic names may be misinterpreted if the program has never...

Latest posts linking here

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...
My cunning plan to get Roger Sayle to write down some of his findings has come to fruition. NextMove Software now has its own blog with posts from Daniel Lowe, myself and Roger on ChemSketch to Mol conversion, visualising a hierarchy of substructures, improving...