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)
Resource Information
The item In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.This item is available to borrow from 1 library branch.
Resource Information
The item In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- 1 online resource.
- Note
- Includes index
- Isbn
- 9781782622604
- 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
- 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
- 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)
- 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)
- 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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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/In-silico-medicinal-chemistry--computational/sjGUekj9psk/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/In-silico-medicinal-chemistry--computational/sjGUekj9psk/">In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/In-silico-medicinal-chemistry--computational/sjGUekj9psk/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/In-silico-medicinal-chemistry--computational/sjGUekj9psk/">In silico medicinal chemistry : computational methods to support drug design, Nathan Brown, (electronic book)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
