Softwareteknologi DTU - Project No. 0139:  Experimental AI Software Prototype for Computerized Chemical Retro-Synthesis
Danmarks Tekniske Universitet DTU
Bachelorprojekt - Softwareteknologi
Project No. 0139:  Experimental AI Software Prototype for Computerized Chemical Retro-Synthesis
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Description:

In chemical retro-synthesis the task is to devise an implementable plan for producing an intended chemical compound from given raw materials in a number of chemical reaction steps. As such retro-synthesis applies what is known in artificial intelligence as ruled-based means-end reasoning.

Based on the so-called chemical inference rule principle described in a paper the project is to develop a software prototype for performing retro-synthesis given a knowledge base of chemical reactions and using heuristic search algorithms. As a special challenge the prototype should strive at being able to devising so-called Solvay cluster reactions in which would-be byproducts are reused in the setup giving rise to recycling setups.

A motivation for the project is to illustrate, encourage, and promote use of contemporary AI methods in engineering science.

Prerequisites:  02180 Introduction to Artificial Intelligence

Remarks: At least one of the participants should have elementary background in chemistry, eg. course 26027

Supervisor(s) Jørgen Fischer Nilsson

Sidst opdateret: Nov 26, 2013 af Hans Henrik Løvengreen