Jump to main content
Jump to site search
SCHEDULED MAINTENANCE Close the message box

Maintenance work is planned for Monday 16 August 2021 from 07:00 to 23:59 (BST).

Website performance may be temporarily affected and you may not be able to access some PDFs or images. If this does happen, refreshing your web browser should resolve the issue. We apologise for any inconvenience this might cause and thank you for your patience.


All chapters

Chapter 6

Structure Representation

Computer programs that make predictions about the properties of chemicals need ways of representing chemical structures for communication both with human users and with other programs. The main ones used are described.

Publication details


Print publication date
15 Feb 2019
Copyright year
2019
Print ISBN
978-1-78801-471-7
PDF eISBN
978-1-78801-618-6
ePub eISBN
978-1-78801-742-8