Applied Chemoinformatics

Edited by worldΓÇôfamous pioneers in chemoinformatics, this is a clearly structured and applicationΓÇôoriented approach to the topic, providing upΓÇôtoΓÇôdate and focused information on the range of applications in this exciting field.
The authors explain methods and software tools, such that users will not only learn the basics but also how to use the different software packages available, including tools for correct data interpretation and structure simulation, right up to computerΓÇôguided library design for medicinal chemistry. They also describe applications in such different fields as structure spectra correlations, virtual screening, prediction of active sites, library design, and toxicity modelling.
The book is aimed at advanced students as well as lecturers, but also at applicationΓÇôoriented scientists wishing to acquire the skills needed to benefit from a simplified workflow via chemoinformatics.
Together with the corresponding textbook "Chemoinformatics ΓÇô A Textbook Bridging to Bioinformatics" on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.