Dimitris K. Agrafiotis

2008
25	EE	Deepak Bandyopadhyay, Dimitris K. Agrafiotis: A self-organizing algorithm for molecular alignment and pharmacophore development. Journal of Computational Chemistry 29(6): 965-982 (2008)
2007
24	EE	Fangqiang Zhu, Dimitris K. Agrafiotis: Self-organizing superimposition algorithm for conformational sampling. Journal of Computational Chemistry 28(7): 1234-1239 (2007)
2006
23	EE	Sergei Izrailev, Fangqiang Zhu, Dimitris K. Agrafiotis: A distance geometry heuristic for expanding the range of geometries sampled during conformational search. Journal of Computational Chemistry 27(16): 1962-1969 (2006)
2005
22	EE	Walter Cedeño, Dimitris K. Agrafiotis: A Comparison of Particle Swarms Techniques for the Development of Quantitative Structure-Activity Relationship Models for Drug Design. CSB Workshops 2005: 322-331
2003
21	EE	Dimitris K. Agrafiotis, Huafeng Xu: A Geodesic Framework for Analyzing Molecular Similarities. Journal of Chemical Information and Computer Sciences 43(2): 475-484 (2003)
20	EE	Huafeng Xu, Sergei Izrailev, Dimitris K. Agrafiotis: Conformational Sampling by Self-Organization. Journal of Chemical Information and Computer Sciences 43(4): 1186-1191 (2003)
19	EE	Huafeng Xu, Dimitris K. Agrafiotis: Nearest Neighbor Search in General Metric Spaces Using a Tree Data Structure with a Simple Heuristic. Journal of Chemical Information and Computer Sciences 43(6): 1933-1941 (2003)
18	EE	Dimitris K. Agrafiotis: Stochastic proximity embedding. Journal of Computational Chemistry 24(10): 1215-1221 (2003)
17		Walter Cedeño, Dimitris K. Agrafiotis: Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression. Journal of Computer-Aided Molecular Design 17(2-4): 255-263 (2003)
2002
16	EE	Dimitris K. Agrafiotis, Dmitrii N. Rassokhin: A Fractal Approach for Selecting an Appropriate Bin Size for Cell-Based Diversity Estimation. Journal of Chemical Information and Computer Sciences 42(1): 116-122 (2002)
15	EE	Dimitris K. Agrafiotis, Walter Cedeño, Victor S. Lobanov: On the Use of Neural Network Ensembles in QSAR and QSPR. Journal of Chemical Information and Computer Sciences 42(4): 903-911 (2002)
14	EE	Dimitris K. Agrafiotis: Multiobjective optimization of combinatorial libraries. Journal of Computer-Aided Molecular Design 16(5-6): 335-356 (2002)
2001
13	EE	Dimitris K. Agrafiotis: Multiobjective optimization of combinatorial libraries. IBM Journal of Research and Development 45(3): 545- (2001)
12	EE	Dimitris K. Agrafiotis: A Constant Time Algorithm for Estimating the Diversity of Large Chemical Libraries. Journal of Chemical Information and Computer Sciences 41(1): 159-167 (2001)
11	EE	Sergei Izrailev, Dimitris K. Agrafiotis: A Novel Method for Building Regression Tree Models for QSAR Based on Artificial Ant Colony Systems. Journal of Chemical Information and Computer Sciences 41(1): 176-180 (2001)
10	EE	Dimitris K. Agrafiotis, Dmitrii N. Rassokhin: Design and Prioritization of Plates for High-Throughput Screening. Journal of Chemical Information and Computer Sciences 41(3): 798-805 (2001)
9	EE	Dimitris K. Agrafiotis, Victor S. Lobanov: Multidimensional scaling of combinatorial libraries without explicit enumeration. Journal of Computational Chemistry 22(14): 1712-1722 (2001)
8	EE	Dmitrii N. Rassokhin, Victor S. Lobanov, Dimitris K. Agrafiotis: Nonlinear mapping of massive data sets by fuzzy clustering and neural networks. Journal of Computational Chemistry 22(4): 373-386 (2001)
7	EE	Dimitris K. Agrafiotis, Dmitrii N. Rassokhin, Victor S. Lobanov: Multidimensional scaling and visualization of large molecular similarity tables. Journal of Computational Chemistry 22(5): 488-500 (2001)
2000
6	EE	Victor S. Lobanov, Dimitris K. Agrafiotis: Stochastic Similarity Selections from Large Combinatorial Libraries. Journal of Chemical Information and Computer Sciences 40(2): 460-470 (2000)
5	EE	Dimitris K. Agrafiotis, Victor S. Lobanov: Ultrafast Algorithm for Designing Focused Combinational Arrays. Journal of Chemical Information and Computer Sciences 40(4): 1030-1038 (2000)
4	EE	Dimitris K. Agrafiotis, Victor S. Lobanov: Nonlinear Mapping Networks. Journal of Chemical Information and Computer Sciences 40(6): 1356-1362 (2000)
1999
3	EE	Dimitris K. Agrafiotis, Victor S. Lobanov: An Efficient Implementation of Distance-Based Diversity Measures Based on k-d Trees. Journal of Chemical Information and Computer Sciences 39(1): 51-58 (1999)
1997
2	EE	Dimitris K. Agrafiotis: On the Use of Information Theory for Assessing Molecular Diversity. Journal of Chemical Information and Computer Sciences 37(3): 576-580 (1997)
1	EE	Dimitris K. Agrafiotis: Stochastic Algorithms for Maximizing Molecular Diversity. Journal of Chemical Information and Computer Sciences 37(5): 841-851 (1997)

Coauthor Index

1	Deepak Bandyopadhyay	[25]
2	Walter Cedeño	[15] [17] [22]
3	Sergei Izrailev	[11] [20] [23]
4	Victor S. Lobanov	[3] [4] [5] [6] [7] [8] [9] [15]
5	Dmitrii N. Rassokhin	[7] [8] [10] [16]
6	Huafeng Xu	[19] [20] [21]
7	Fangqiang Zhu	[23] [24]

Colors in the list of coauthors