Model building, genetic algorithms and the SAR Table app

sartable_model1Recent efforts on the subject of model building are getting close to fruition. As mentioned a few months back when I presented a CINF webinar, the SAR Table app has a not-yet-released feature which allows the current set of structures and their activities (“responses”) to be packed off to a webservice, which proceeds to construct a model based on structural features, then predicts values for any structures that don’t have values for that particular property. Continue reading

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2012 redux

Now that the Mayan calendar has flipped its highest bit, and as far as I can tell everything is still where it was the day before except for the afterparty mess, it’s as good a time as any to review what has happened over the last year as pertains to Molecular Materials Informatics and its relevant domain, namely the intersection of cheminformatics and mobile+cloud products. Continue reading