Molecules carrying the azido functionality are widely used as intermediates in medicinal chemistry. Pyrrolobenzodiazepines molecules with a broad range of interesting pharmacological properties. Due to wide importance azido-PBD key intermediate many synthetic pathways, this work we have investigated effect variety experimental parameters on mechanism nucleophilic substitution reaction for intro...

We introduce the problem of simultaneously learning all powers of a Poisson Binomial Distribution (PBD). A PBD over {1, . . . , n} is the distribution of a sum X = ∑n i=1 Xi, of n independent Bernoulli 0/1 random variables Xi, where E[Xi] = pi. The k’th power of this distribution, for k in a range {1, . . . ,m}, is the distribution of Pk = ∑n i=1 X (k) i , where each Bernoulli random variable X...

Since it is important for service robots to be easily programmed, an interactive programming techniques like Programming by Demonstration (PbD) are obviously adequate programming methods. Image processing systems play an important role in PbD systems for acquiering the demonstration steps of the user. However, today's image processing systems are hardly capable of extracting relevant informatio...

We investigate the class PBD of π-Calculus processes that are bounded in the function depth. First, we show that boundedness in depth has an intuitive characterisation when we understand processes as graphs: a process is bounded in depth if and only if the length of the simple paths is bounded. The proof is based on a new normal form for the π-Calculus called anchored fragments. Using this conc...

Molecular dynamics simulations of a melt of freely rotating chains of 1,4-polybutadiene (FRC-PBD) have been performed over a wide range of temperature. Removal of the dihedral barriers in FRC-PBD allows for complete resolution of the Johari-Goldstein beta process from the primary alpha process in the simulation time window. We find that relaxation in the beta regime occurs as the result of larg...

This chapter presents a programming-by-demonstration (PBD) approach to Geographical Information Systems (GIS). The aim of our approach is to enable non-specialist users to avail themselves of the software without having to resort to the help of expert users. We begin with a story of one group of non-specialist users who encountered difficulty with GIS software. Next we summarize findings of a s...

Attention-deficit Hyperactivity Disorder is one of the most common childhood mental health disorders, affecting about 5.6% population worldwide. Several studies have specifically shown a high prevalence comorbid mood such as depression and bipolar disorder (BD), in those diagnosed with ADHD. symptoms ADHD are also found BD, which characterized by alternating periods euthymia disturbances. The i...

Our goal is to make combinatorial problem-solving technology available to users who have no formal training in AI or OR. To achieve this aim, we have built a system, VICSS (Visual Constraint Specification System) that enables users to specify problems graphically. To simplify the specification process, VICSS relles heavily on progra~nming-by-demonstration (PBD) techniques. We believe, however, ...

Programming-by-demonstration (PBD) systems learn tasks by watching the user perform them. CIMA1 is an interactive learning system for modeling the data selected and modified by a user as he or she undertakes a task. Part of a PBD system, CIMA is invoked when user actions are matched to find a common description of their “operands.” Although the system’s interfaces to users and applications are ...