Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Catherine A. Pepperrell"'
Autor:
Catherine A. Pepperrell, Peter Willett, Helen M. Grindley, Andrew R. Poirrette, Frank H. Allen, Peter A. Bath, David J. Wild, David A. Thorner, Peter J. Artymiuk, Robin Taylor, David W. Rice
Publikováno v:
ChemInform. 24
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96aceb5c88531b95ad5d911485903a3e
https://doi.org/10.1002/chin.199312274
https://doi.org/10.1002/chin.199312274
Autor:
Catherine A. Pepperrell, Peter Willett
Publikováno v:
Journal of Computer-Aided Molecular Design. 5:455-474
This paper reports a comparison of several methods for measuring the degree of similarity between pairs of 3-D chemical structures that are represented by inter-atomic distance matrices. The methods that have been tested use the distance information
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95f574f6a3ed5c3857e90a229c6e3d0c
https://doi.org/10.1007/bf00125665
https://doi.org/10.1007/bf00125665
Publikováno v:
Pesticide Science. 33:97-111
This paper discusses a procedure for calculating the degree of similarity between an input target molecule and each of the molecules in a database of 3D chemical structures. A mapping procedure is used to identify pairs of atoms, one from each of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16eccde483ddc4dd32edd20877df6872
https://doi.org/10.1002/ps.2780330111
https://doi.org/10.1002/ps.2780330111
Publikováno v:
Tetrahedron Computer Methodology. 3:37-46
This paper describes algorithms that select a set of fragment screens for chemical substructure searching. The algorithms take as input an alphanumerically ordered list of fragments, together with their frequencies of occurrence, and produce as outpu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::30c4a76eb4d9087edd72fd2fc9ddd26c
https://doi.org/10.1016/0898-5529(90)90119-s
https://doi.org/10.1016/0898-5529(90)90119-s
Publikováno v:
Tetrahedron Computer Methodology. 3:575-593
This paper discusses a procedure for calculating the degree of similarity between an input target molecule and each of the molecules in a database of 3-D chemical structures. A mapping algorithm is used to identify pairs of atoms, one from each of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::037f625e7293d9460a7c0d6065f9b74d
https://doi.org/10.1016/0898-5529(90)90160-a
https://doi.org/10.1016/0898-5529(90)90160-a
Autor:
Catherine A. Pepperrell, Peter Willett
Publikováno v:
Chemical Structures 2 ISBN: 9783642780295
This poster reports work to date on a project to evaluate techniques for measuring the degree of similarity between pairs of 3-D chemical structures represented by interatomic distance matrices. The four techniques that have been tested use the dista
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0551226994594f05ed92be7cd87ad136
https://doi.org/10.1007/978-3-642-78027-1_32
https://doi.org/10.1007/978-3-642-78027-1_32
