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The Resource In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book)

In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book)

Label
In silico medicinal chemistry : computational methods to support drug design
Title
In silico medicinal chemistry
Title remainder
computational methods to support drug design
Statement of responsibility
Nathan Brown
Creator
Contributor
Subject
Language
eng
Summary
Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this book explores these methodologies and applications of in silico medicinal chemistry. The first part of the book covers molecular representation methods in computing in terms of chemical structure, together with guides on common structure file formats. The second part examines commonly used classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data, covering topics such as similarity searching, clustering and diversity selection, virtual library design, ligand docking and de novo design. The final part of the book summarises the application of methods to the different stages of drug discovery, from target ID, through hit finding and hit-to-lead, to lead optimisation. This book is a practical introduction to the subject for researchers new to the fields of chemoinformatics, molecular modelling and computational chemistry
Member of
Cataloging source
UKRSC
http://library.link/vocab/creatorName
Brown, Nathan
Index
index present
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
Royal Society of Chemistry (Great Britain)
http://library.link/vocab/subjectName
  • Chemistry, Pharmaceutical
  • Pharmaceutical chemistry
  • Cheminformatics
Label
In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book)
Instantiates
Publication
Copyright
Note
Includes index
Antecedent source
unknown
Color
multicolored
Control code
RSC929953680
Dimensions
unknown
Extent
1 online resource.
File format
unknown
Form of item
online
Isbn
9781782622604
Level of compression
unknown
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
Label
In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book)
Publication
Copyright
Note
Includes index
Antecedent source
unknown
Color
multicolored
Control code
RSC929953680
Dimensions
unknown
Extent
1 online resource.
File format
unknown
Form of item
online
Isbn
9781782622604
Level of compression
unknown
Quality assurance targets
not applicable
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote

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