1996 |
11 | | Frank H. Allen,
Stephanie E. Harris,
Robin Taylor:
Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques.
Journal of Computer-Aided Molecular Design 10(3): 247-254 (1996) |
1995 |
10 | | Frank H. Allen,
Peter A. Bath,
Peter Willett:
Angular Spectroscopy: Rapid Visualization of Three-Dimensional Substructure Dissimilarity Using Valence Angle or Torsional Descriptors.
Journal of Chemical Information and Computer Sciences 35(2): 261-271 (1995) |
9 | | Frank H. Allen,
John M. Barnard,
Anthony P. F. Cook,
Sydney R. Hall:
The Molecular Information File (MIF): Core Specifications of a New Standard Format for Chemical Data.
Journal of Chemical Information and Computer Sciences 35(3): 412-427 (1995) |
8 | | Peter A. Bath,
Andrew R. Poirrette,
Peter Willett,
Frank H. Allen:
The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds.
Journal of Chemical Information and Computer Sciences 35(4): 714-716 (1995) |
7 | | Peter A. Bath,
Andrew R. Poirrette,
Peter Willett,
Frank H. Allen:
Response to Comment on "The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds".
Journal of Chemical Information and Computer Sciences 35(6): 1081-1081 (1995) |
1994 |
6 | EE | Peter A. Bath,
Andrew R. Poirrette,
Peter Willett,
Frank H. Allen:
Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity.
Journal of Chemical Information and Computer Sciences 34(1): 141-147 (1994) |
5 | | Laurence Leherte,
Frank H. Allen:
Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems.
Journal of Computer-Aided Molecular Design 8(3): 257-272 (1994) |
1991 |
4 | EE | Frank H. Allen,
John E. Davies,
Jean J. Galloy,
Owen Johnson,
Olga Kennard,
Clare F. Macrae,
Eleanor M. Mitchell,
Gary F. Mitchell,
J. Michael Smith,
David G. Watson:
The development of versions 3 and 4 of the Cambridge Structural Database System.
Journal of Chemical Information and Computer Sciences 31(2): 187-204 (1991) |
1982 |
3 | EE | Frank H. Allen,
Olga Kennard,
David G. Watson,
Kathleen M. Crennell:
Cambridge Crystallographic Data Centre. 6. Preparation and computer typesetting of the molecular structures and dimensions bibliographic volumes.
Journal of Chemical Information and Computer Sciences 22(3): 129-139 (1982) |
1980 |
2 | EE | Frank H. Allen:
Cambridge Crystallographic Data Centre. V. An Integrated System of Printed Indexes.
Journal of Chemical Information and Computer Sciences 20(2): 68-76 (1980) |
1977 |
1 | EE | Frank H. Allen,
William G. Town:
The Automated Generation of Keywords from Chemical Compound Names: Preparation of a Permuted Name Index with KWIC Layout.
Journal of Chemical Information and Computer Sciences 17(1): 9-15 (1977) |