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020 _a9783527613168
020 _a3527613161
020 _a9783527613175
_q(electronic bk.)
020 _a352761317X
_q(electronic bk.)
020 _z3527301550
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020 _z9783527301553
024 7 _a10.1002/9783527613168
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029 1 _aDEBSZ
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035 _a(OCoLC)214281583
_z(OCoLC)310354009
035 _a(OCoLC)ocn214281583
037 _a10.1002/9783527613168
_bWiley InterScience
_nhttp://www3.interscience.wiley.com
039 9 _a201902141612
_bmurni
_c201712120915
_dhafiz
_y12-08-2017
_zhafiz
_wMYUKM (1).mrc
_x66
040 _aDG1
_beng
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082 0 4 _a541.220285631
_222
245 0 0 _aEvolutionary algorithms in molecular design /
_cedited by David E. Clark.
260 _aWeinheim ;
_aNew York :
_bWiley-VCH,
_c©2000.
300 _a1 online resource (280 pages) :
_billustrations.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
490 1 _aMethods and principles in medicinal chemistry ;
_vv. 8
504 _aIncludes bibliographical references and index.
505 0 _aEvolutionary Algorithms in Molecular Design; Contents; 1 Introduction to Evolutionary Algorithms; 2 Small-molecule Geometry Optimization and Conformational Search; 3 Protein-Ligand Docking; 4 De Now Molecular Design; 5 Quantitative Structure- Activity Relationships; 6 Chemometrics; 7 Chemical Structure Handling; 8 Molecular Diversity Analysis and Combmatorial Library Design; 9 Evolutionary Algorithms in Crystallographic Applications; 10 Structure Determination by NMR Spectroscopy; 11 Protein Folding; 12 New Techniques and Future Directions.
520 _aWhen trying to find new methods and problem-solving strategies for their research, scientists often turn to nature for inspiration. An excellent example of this is the application of Darwin's Theory of Evolution, particularly the notion of the'survival of the fittest', in computer programs designed to search for optimal solutions to many kinds of problems. These'evolutionary algorithms' start from a population of possible solutions to a given problem and, by applying evolutionary principles, evolve successive generations with improved characteristics until an optimal, or near-optimal, soluti.
588 0 _aPrint version record.
650 0 _aGenetic algorithms.
650 0 _aDrugs
_xDesign and construction.
650 0 _aMolecules
_xModels
_xDesign and construction.
650 0 _aEvolutionary programming (computer science)
650 2 _aDrug Design.
650 2 _aAlgorithms.
650 2 _aComputer-aided design.
_962173
650 2 _aEvolution, Molecular.
650 4 _aGeometric algorithms.
650 7 _aSCIENCE
_xChemistry
_xPhysical & Theoretical.
_2bisacsh
655 4 _aElectronic books.
700 1 _aClark, David E.,
_d1966-
710 2 _aWiley InterScience (Online service)
773 0 _tWiley e-books
776 0 8 _iPrint version:
_tEvolutionary algorithms in molecular design.
_dWeinheim ; New York : Wiley-VCH, ©2000
_z3527301550
_z9783527301553
_w(DLC) 2001278178
_w(OCoLC)43970638
830 0 _aMethods and principles in medicinal chemistry ;
_vv. 8.
856 4 0 _uhttps://eresourcesptsl.ukm.remotexs.co/user/login?url=http://onlinelibrary.wiley.com/book/10.1002/9783527613168
_zWiley Online Library
907 _a.b16537567
_b2022-11-03
_c2019-11-12
942 _n0
914 _avtls003628678
998 _ae
_b2017-08-12
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