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Department of Chemistry

 
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
– Organic & Biomolecular Chemistry
(2004)
2,
3204
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D):‚ÄČ Evaluation of Performance
A Bender, HY Mussa, RC Glen, S Reiling
– Journal of Chemical Information and Computer Sciences
(2004)
44,
1708
Similarity searching using atom environments, information gain based feature selection and the naive Bayesian classifier.
A Bender, S Reiling, HY Mussa, RC Glen
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2004)
227,
U907
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)
A Bender, HY Mussa, GS Gill, RC Glen
– 2004 IEEE INTERNATIONAL CONFERENCE ON SYSTEMS, MAN & CYBERNETICS, VOLS 1-7
(2004)
5,
4553
Molecular similarity searching using atom environments, information-based feature selection, and a naive Bayesian classifier
A Bender, HY Mussa, RC Glen, S Reiling
– J Chem Inf Comput Sci
(2004)
44,
170
Properties and prediction of mitochondrial transit peptides from Plasmodium falciparum.
A Bender, GG van Dooren, SA Ralph, GI McFadden, G Schneider
– Molecular and biochemical parasitology
(2003)
132,
59
Cutting edge approaches to drug design
A Bender
– Drug Discovery Today: BIOSILICO
(2003)
1,
53
Target Fishing: A Single-Label or Multi-Label Problem?
AM Afzal, HY Mussa, RE Turner, A Bender, RC Glen
– arXiv