Frontiers in Molecular Design and Chemical Information Science : Oxford University Press : 9780841231412 : 0841231419 : 07 Dec 2017 : This book focuses on broadly defined areas of chemical information science-- with special emphasis on chemical informatics-- and computer-aided molecular design. The computational and cheminformatics methods discussed, and their application to drug discovery, are essential for sustaining a viable drug development pipeline. It is increasingly challenging to identify new chemical entities and the amount of money and time invested in research to develop a new drug has greatly increased over the past 50 years. The average time to take a drug from clinical testing to approval is currently 7.2 years. Therefore, the need to develop predictive computational techniques to drive research more efficiently to identify compounds and molecules, which have the greatest likelihood of being developed into successful drugs for a target, is of great significance. New metho