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Data-Driven Drug Discovery and Molecular Informatics

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  • Currently displaying 561 - 574 of 574 publications
Discussion of measures of enrichment in virtual screening: Comparing the information content of descriptors with increasing levels of sophistication
A Bender, RC Glen
– J CHEM INF MODEL
(2005)
45,
1369
A discussion of measures of enrichment in virtual screening: Comparing the information content of descriptors with increasing levels of sophistication
A Bender, RC Glen
– J Chem Inf Model
(2005)
45,
1369
Effect of polyethylene glycol on structure and properties of porous silica blocks
X Wang, H Yang, Q Chen, L Song, H Li, J Lu
– Kuei Suan Jen Hsueh Pao/ Journal of the Chinese Ceramic Society
(2005)
33,
975
Assessment of structural diversity in combinatorial synthesis
S Fergus, A Bender, DR Spring
– Current opinion in chemical biology
(2005)
9,
304
General melting point prediction based on a diverse compound data set and artificial neural networks.
M Karthikeyan, RC Glen, A Bender
– J Chem Inf Model
(2005)
45,
581
Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes.
M Karthikeyan, A Bender
– Journal of Chemical Information and Modeling
(2005)
45,
572
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)
A Bender, HY Mussa, GS Gill, RC Glen
– Conference Proceedings - IEEE International Conference on Systems, Man and Cybernetics
(2004)
5,
4553
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D)
A Bender, HY Mussa, GS Gill, RC Glen
– Journal of medicinal chemistry
(2004)
47,
6569
Molecular similarity: a key technique in molecular informatics
A Bender, RC Glen
– Organic and Biomolecular Chemistry
(2004)
2,
3204
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D):  Evaluation of Performance
A Bender, HY Mussa, RC Glen, S Reiling
– Journal of Chemical Information and Modeling
(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 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
(2003)
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
(2003)
1,
53