The J.H.B. bookshelf
- 作者Shirley A. Roe; Keith R. Benson; Joy Harvey; Sharon E. Kingsland
- 卷第20卷
- 期第1期
- 印刷ISSN0022-5010
- 电子ISSN1573-0387
- 文件大小243.69KB
- 发表时间1987-21
- DOI10.1007/bf00125261
- 页码131-135
Molecular structure matching by simulated annealing. I. A comparison between different cooling schedulesM. T. Barakat; P. M. Dean · 1990
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment propertiesM. T. Barakat; P. M. Dean · 1995
Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problemsM. T. Barakat; P. M. Dean · 1990
Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problemM. T. Barakat; P. M. Dean · 1991
The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perceptionM. T. Barakat; P. M. Dean · 1995
The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarityM. T. Barakat; P. M. Dean · 1995
The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarityM. T. Barakat; P. M. Dean · 1995