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Showing 1 to 1 of 1 for “"chemical descriptor"”.
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ARTIFICIAL INTELLIGENCE (AI) APPROACHES IN DRUG DISCOVERY: DEVELOPMENT AND VALIDATION OF NEW STRATEGIES IN VIRTUAL SCREENING CAMPAIGNS
… studies. Finally, given the proven relevance of descriptors in supervised predictive modelling, novel kinds of structure-based descriptors were developed and validated. FingerInt and HyperVolume are here proposed for enriching the pool of docking-derived descriptors, avoiding the multitude of …