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(1000-1500 characters) In spite of the increasing amount of public access resources that offer original data related to drug toxicology, the successful exploitation of such data for the development of in silico predictive models is still limited by the quality of the data available, its integrability and its coverage for each toxicity endpoint. This work… (More)
Computational investigation of the potential energy surfaces of dehydro- and dehydroannulenes revealed that mechanisms involving Hückel and Möbius π-bond shifting can explain the observed or proposed configuration change reactions. Unlike the case of annulenes, in which bond-shift midpoints correspond to transition states, for transformations of… (More)
Synthesizing animations of human manipulation tasks. What interest me are planning techniques that focus on creating natural motion. Why are few researchers in computer graphics studying these things?Compact models of motor primitive variations for predictable reaching and obstacle avoidance.