Computer-assisted Design of Organic Synthesis


Book Description

Much commercial work on organic synthesis relies heavily on computer-aided-design. This teaching package demonstrates in a clear and concise manner how such CAD works by allowing the construction of synthetic routes from a target molecule. Its purpose is to teach how computers may be used to design organic syntheses and it is loosely based on the much more sophisticated LHASA programme, available on larger computers. However, its advantage over LHASA is that it makes parts of the design process visible to students. Enough practical chemistry hints are given in the accompanying manual for the work done on the system to be put in context of practical organic lab sessions. The software is written in BASIC and runs on the BBC Model B or Master series.













Organic Chemistry in Action


Book Description

The first edition of this book was welcomed with great enthusiasm by teachers and students. It therefore seemed opportune to publish a second, revised, updated and extended edition. Unfortunately, Professor Fèlix Serratosa died before he could complete this task. Some new material has been added, the more significant changes being:. The book has been restructured into two well-differentiated sections: Part A, dealing with conventional organic synthesis, and Part B, devoted exclusively to computer-assisted organic synthesis and based on the former Chapter 11 and Appendices 2, 3 and 4 of the first edition. As decided in advance, Part B was to be the sole responsibility of Dr. Josep Xicart, who prepared the first versions of the CHAOS (Computerisation and Heuristics Applied to Organic Synthesis) program under the direction of Professor Serratosa.










Computer Assisted Design and Execution of Organic Syntheses


Book Description

The synthesis of useful organic molecules via simple and cost-effective routes is a core challenge in organic chemistry. In industry or academia, organic chemists use their chemical intuition, technical expertise and published procedures to determine an optimal pathway. This approach, not only takes time and effort, but also is cost prohibitive. Many potential optimal routes scratched on paper fail to get experimentally tested. In addition, with new methods being discovered daily are often overlooked by established techniques. This thesis reports a computational technique that assist the discovery of economical synthetic routes to useful organic targets.