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 and Cybernetics (IEEE Cat. No.04CH37583)
(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
– Org Biomol Chem
(2004)
2,
3204
(DOI: 10.1039/B409813G)
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance.
– J Chem Inf Comput Sci
(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
– Journal of Chemical Information and Computer Sciences
(2003)
44,
170
(DOI: 10.1021/ci034207y)
Cutting edge approaches to drug design
– Drug Discovery Today
(2003)
1,
53
Properties and prediction of mitochondrial transit peptides from <i>Plasmodium falciparum</i>
– Molecular and Biochemical Parasitology
(2003)
132,
59