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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
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(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
Curr Opin Chem Biol
(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)
2004 IEEE INTERNATIONAL CONFERENCE ON SYSTEMS, MAN & CYBERNETICS, VOLS 1-7
(2004)
5
4553
(doi: 10.1109/ICSMC.2004.1401249)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D)
J Med Chem
(2004)
47
6569
(doi: 10.1021/jm049611i)
Molecular similarity: a key technique in molecular informatics
Organic & 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 Computer Sciences
(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 Naïve Bayesian Classifier
Journal of Chemical Information and Computer Sciences
(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 Biosilico
(2003)
1
53
