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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
– J CHEM INF MODEL
(2005)
45,
1369
(doi: 10.1021/ci0500177)
A discussion of measures of enrichment in virtual screening: Comparing the information content of descriptors with increasing levels of sophistication
– J Chem Inf Model
(2005)
45,
1369
(doi: 10.1021/ci0500177)
Effect of polyethylene glycol on structure and properties of porous silica blocks
– Kuei Suan Jen Hsueh Pao/ Journal of the Chinese Ceramic Society
(2005)
33,
975
Assessment of structural diversity in combinatorial synthesis
– Current opinion in chemical biology
(2005)
9,
304
(doi: 10.1016/j.cbpa.2005.03.004)
General melting point prediction based on a diverse compound data set and artificial neural networks.
– J Chem Inf Model
(2005)
45,
581
(doi: 10.1021/ci0500132)
Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes.
– Journal of Chemical Information and Modeling
(2005)
45,
572
(doi: 10.1021/ci049758i)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)
– Conference Proceedings - IEEE International Conference on Systems, Man and Cybernetics
(2004)
5,
4553
(doi: 10.1109/ICSMC.2004.1401249)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D)
– Journal of medicinal chemistry
(2004)
47,
6569
(doi: 10.1021/jm049611i)
Molecular similarity: a key technique in molecular informatics
– Organic and Biomolecular Chemistry
(2004)
2,
3204
(doi: 10.1039/B409813G)
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance
– Journal of Chemical Information and Modeling
(2004)
44,
1708
(doi: 10.1021/ci0498719)
Similarity searching using atom environments, information gain based feature selection and the naive Bayesian classifier.
– 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
– J Chem Inf Comput Sci
(2003)
44,
170
(doi: 10.1021/ci034207y)
Properties and prediction of mitochondrial transit peptides from Plasmodium falciparum
– Molecular and biochemical parasitology
(2003)
132,
59
Cutting edge approaches to drug design
– Drug Discovery Today
(2003)
1,
53