000			04031nam a22004334u 4500
001			10.1002/9783527830497
003			Wiley
005			20251030120309.0
007			cr nn 008mam|a
008			231020t2024||||xxu fs| |0|| 0|eng||
020			_a9783527830497 _qelectronic
024	7		_a10.1002/9783527830497 _2doi
041			_aeng
245	0	0	_aOpen Access Databases and Datasets for Drug Discovery _h[electronic resource] _cEdited by Antoine Daina, Michael Przewosny, Vincent Zoete.
250			_a1
260			_bWiley _c2024
264		1	_bWiley _c2024
300			_a352pp.;
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _2rdaft
347			_bPDF
490	1		_aMethods and Principles in Medicinal Chemistry
520			_aOpen Access Databases and Datasets for Drug Discovery Timely resource discussing the future of data-driven drug discovery and the growing number of open-source databases With an overview of 90 freely accessible databases and datasets on all aspects of drug design, development, and discovery, Open Access Databases and Datasets for Drug Discovery is a comprehensive guide to the vast amount of "free data" available to today's pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated. The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process. Contributed to and edited by experts with long-time experience in the field, Open Access Databases and Datasets for Drug Discovery includes information on: An extensive listing of open access databases and datasets for computer-aided drug design PubChem as a chemical database for drug discovery, DrugBank Online, and bioisosteric replacement for drug discovery supported by the SwissBioisostere database The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design, and the SWISS-MODEL repository of 3D protein structures and models PDB-REDO in computational aided drug design (CADD), and using Pharos/TCRD for discovering druggable targets Unmatched in scope and thoroughly reviewing small and large open data sources relevant for rational drug design, Open Access Databases and Datasets for Drug Discovery is an essential reference for medicinal and pharmaceutical chemists, and any scientists involved in the drug discovery and drug development.
650		4	_aDrug Discovery & Development _991621
650		4	_aComputational Chemistry & Molecular Modeling _991622
650		4	_aStructural Biology _976110
653	0	0	_asmall molecules; drugs; druglike substances; ligand design; protein 3D structures; human drug targets; Molecular Modelling Group; pubchem; drugbank online; SwissBioisostere database; The Protein Data Bank; drug design; drug develop; drug data
700	1		_aDaina, Antoine _4edt _991623
700	1		_aPrzewosny, Michael _4edt _991624
700	1		_aZoete, Vincent _4edt _991625
776	0	8	_iPrinted edition: _z9783527348398
830		0	_aMethods and Principles in Medicinal Chemistry _991626
856	4	0	_uhttps://doi.org/10.1002/9783527830497 _aWiley Online Library
856	4	0	_uhttps://onlinelibrary.wiley.com/action/showBook?doi=10.1002%2F9783527830497 _aWiley Online Library
856	4	2	_3Cover Image _uhttps://onlinelibrary.wiley.com/cms/asset/b8f3bc15-00ba-496a-ad96-991c3788b58e/9783527830497.cover.gif _aWiley Online Library
999			_c67019 _d67019