Tag Archive: tuberculosis

Jan
09

Predicting Targets for TB Phenotypic Screening Hits and Openess of data and models

So far the only readily accessible, free approach to predicting TB targets is TB Mobile developed for iOS and Android with Alex Clark. While relatively crude the app does allow look up and similarity searching of 745 compounds with known targets so it may help propose possible targets for a new compound. Obviously there are …

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Dec
17

Gaps in in vivo research and their long term effect on TB

So my last posting here described a small slideset shared on figshare, the PDF is now on slideshare too .. I am increasingly drawn back to slide 21 which resulted from work to be submitted very soon in a different format by collaborators in the TB space (Joel Freundlich, Richard Pottorf, Robert Reynolds, Antony Williams …

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Dec
09

Why Are We Still Doing Industrial Age Drug Discovery For Neglected Diseases in The Information Age?

Modern Times, one of my favorite Charlie Chaplin films was the latest inspiration for a little set of slides that summarizes a developing set of ideas for neglected disease research, specifically the focus is open TB research. Some of our recent work on TB machine learning for lead optimization here and Fusing datasets here builds …

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Aug
16

Finding invisible neglected TB in vivo active compounds with ChemSpider

Very occasionally I come across molecules that cause me to scratch my head and do a double take. I frequently scour databases to find obscure ones to build structure activity relationships or try to learn from the past. Sometimes you uncover surprises along the way – or in one case, many . 24hrs ago I …

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Jun
27

Missing citations and papers relating to the Malaria screening public datasets

Just catching up on some reading and I caught the nice paper on the MalariaBox in PLOSONE which describes the molecular property profiling and filtering of 3 sets of compounds screened by groups at GSK, Novartis and St Jude . The readers of this paper may be interested in work not cited that also discusses …

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