LEADER 00000cam  22003974a 4500 
001    246887517 
003    OCoLC 
005    20240810014655.0 
007    co cgu|||auuau 
008    080923s2009    njua     b    001 0 eng   
010    2008041828 
020    9780470126851|q(cloth/CD) 
020    047012685X|q(cloth/CD) 
035    (OCoLC)246887517|z(OCoLC)436970500|z(OCoLC)988623908
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       |z(OCoLC)1032643808|z(OCoLC)1035274787|z(OCoLC)1035349320
       |z(OCoLC)1048886987|z(OCoLC)1050655636|z(OCoLC)1055932570
       |z(OCoLC)1056846143|z(OCoLC)1060697461|z(OCoLC)1062117052
       |z(OCoLC)1071858476|z(OCoLC)1078797626|z(OCoLC)1079944321
       |z(OCoLC)1108919002|z(OCoLC)1114540072|z(OCoLC)1148816918
       |z(OCoLC)1160824595|z(OCoLC)1252136976|z(OCoLC)1292688426
       |z(OCoLC)1302887961 
040    DNLM/DLC|beng|cDLC|dBTCTA|dNLM|dYDXCP|dC#P|dBWX|dNLGGC
       |dNTE|dDEBBG|dOCL|dIG#|dBDX|dNJI|dOCLCQ|dOCLCO|dOCLCA
       |dOCLCF|dPAU|dEUM|dUKMGB|dEUQ|dOCLCO|dOCLCQ|dUMK|dOCLCA
       |dZAQ|dOCLCQ|dOCLCO|dC8F 
042    pcc 
049    C8FM 
090    RS420|b.Y68 2009 
100 1  Young, David C.,|d1964- 
245 10 Computational drug design :|ba guide for computational and
       medicinal chemists /|cDavid C. Young. 
260    Hoboken, N.J. :|bJohn Wiley & Sons, Inc.,|c©2009. 
300    xxxvi, 307 pages :|billustrations ;|c25 cm +|e1 CD-ROM (4 
       3/4 inches) 
336    text|btxt|2rdacontent 
337    unmediated|bn|2rdamedia 
337    computer|2rdamedia 
338    volume|bnc|2rdacarrier 
338    computer disc|2rdacarrier 
500    Accompanying CD-ROM contains "graphics of the molecular 
       structures and dynamic reactions discussed in the book as 
       well as demos from computational drug design software 
       companies."--Page 4 of cover. 
504    Includes bibliographical references and index. 
505 0  Introduction -- Properties that make a molecule a good 
       drug -- Target identification -- Target characterization -
       - The drug design process for a known protein target -- 
       The drug design process for an unknown target -- Drug 
       design for other targets -- Compound library design -- 
       Computational tools and techniques -- Homology model 
       building -- Molecular mechanics -- Protein folding -- 
       Docking -- Pharmacophore models -- QSAR -- 3D-QSAR -- 
       Quantum mechanics in drug design -- De Novo and other AI 
       techniques -- Cheminformatics -- ADMET -- Multiobjective 
       optimization -- Automation of tasks -- Bioinformatics -- 
       Simulations at the cellular and organ level -- Synthesis 
       route prediction -- Proteomics -- Prodrug approaches -- 
       Future developments in drug design. 
590    Gift of Yvonne Martin, December 2021. 
650  0 Drugs|xDesign|xMathematical models. 
650  0 Drugs|xDesign|xData processing. 
650  0 Drugs|xDesign. 
650  0 Chemical models.