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Record Nr. |
UNINA9910143986103321 |
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Titolo |
Reviews in computational chemistry . Volume 11 [[electronic resource] /] / edited by Kenny B. Lipkowitz and Donald B. Boyd |
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Pubbl/distr/stampa |
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New York, : Wiley-VCH, 1997 |
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ISBN |
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1-282-30812-2 |
9786612308123 |
0-470-12588-8 |
0-470-12615-9 |
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Descrizione fisica |
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1 online resource (458 p.) |
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Collana |
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Reviews in computational chemistry ; ; 11 |
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Altri autori (Persone) |
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LipkowitzKenny B |
BoydDonald B |
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Disciplina |
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Soggetti |
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Chemistry - Data processing |
Chemistry - Mathematics |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and indexes. |
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Nota di contenuto |
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Reviews in Computational Chemistry Volume 11; Contents; Recent Advances in Ligand Design Methods; Introduction; Classes of Ligand Design Methods; Other Factors to Consider When Evaluating a Ligand Design Method; Organization of This Chapter; Overview of Classes of De Novo Design Methods; Category 1. Fragment Location (Fragment Placement) Methods; Category 2. Site Point Connection Methods; Category 3. Fragment Connection Methods; Category 4. Sequential Buildup Methods; Category 5. Whole Molecule Methods; Category 6. Random Connection/Disconnection Methods |
Details of Specific De Novo Ligand Design MethodsFragment Location Methods; Site Point Connection Methods; Fragment Connection Methods; Sequential Buildup Methods; Whole Molecule Methods; Random Connection Methods; General Discussion of Ligand Design Approaches; Take-Home Lessons; Issues To Be Addressed in Ligand Design Software; Acknowledgments and Mea Culpas; References; Current Issues in De Novo Molecular Design; Introduction; Overview of De Novo Design Methods; Outline of Chapter; How Are the Design |
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