Miguel Abreu, Cármen Silva, Mégane Vieira, Romeu Soares, Luísa Pinheiro
Bridging the Gap Between Family Medicine and Adolescents: Creating Opportunities Through Sex Education
Cureus
application biotransformation dictionaries derived expert evaluation known metabolic pathways represents one approach prediction phase phase ii xenobiotic metabolites ranking metabolites generated dictionaries previously achieved use qualitative reasoning rules quantitative probability values using biotransformation dictionary available meteor expert system show metabolite overprediction methods reduced adoption knearest neighbours methodology likelihood predicted biotransformation determined based comparison query chemical structurallysimilar substrates known experimental metabolic data activate biotransformation optimal performance achieved similarity defined terms combination two fingerprints one describing overall profile biotransformations structure potentially undergo describing local environment around predicted site metabolism particular biotransformation consideration