Computational Chemical Synthesis Analysis and Pathway Design

Computational design synthesis

Nearly every human society has been fundamentally altered by computers in the last 30 years. We rely on servers, desktops, and handheld devices to facilitate duties of both our personal and professional lives. Most of this is just managing data: input, store, transfer, output. There is also analysis: given a set of inputs, solve for x. For engineers, x is a prediction of how hot, how much stres...

Computational Analysis , Synthesis , and Design of Dynamic Models

scenariospecification Definition of the MMASSspatial structure Definition of active elementsof the environment andfield types Definition of mobile agents(types, states, perceptivecapabilities and behaviouralspecification)Specific simulation configuration(number, type, position andinitial state of mobile agents,other parameters)Definition of monito...

Object-oriented Concepts for Computational Design Synthesis

Algorithms for Computational Mechanism Synthesis and Analysis

This paper proposes algorithms for mechanism synthesis and analysis, including Rotation, Center, Connection, Numeric Differentiation, Animation and Index. These algorithms are used to transfer behaviors into structures, and to transfer structures into kinematic and dynamic behaviors of the structures. The algorithms are valid for the synthesis and analysis of different mechnisms. These algorith...

Extended CADLIVE: a novel graphical notation for design of biochemical network maps and computational pathway analysis

Biochemical network maps are helpful for understanding the mechanism of how a collection of biochemical reactions generate particular functions within a cell. We developed a new and computationally feasible notation that enables drawing a wide resolution map from the domain-level reactions to phenomenological events and implemented it as the extended GUI network constructor of CADLIVE (Computer...