Wendy A. Warr Sixth International Conference on Chemical Structures. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:337- [Journal]
Jürgen Vogt, Natalja Vogt, Rüdiger Kramer Visualization and Substructure Retrieval Tools in the MOGADOC Database (Molecular Gasphase Documentation). [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:357-361 [Journal]
Wendy A. Warr Evaluation of an Experimental Chemistry Preprint Server. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:362-373 [Journal]
Peter Ertl Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:374-380 [Journal]
Aixia Yan, Johann Gasteiger Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:429-434 [Journal]
Hua Yuan, Chenzhong Cao Topological Indices Based on Vertex, Edge, Ring, and Distance: Application to Various Physicochemical Properties of Diverse Hydrocarbons. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:501-512 [Journal]
István László, André Rassat The Geometric Structure of Deformed Nanotubes and the Topological Coordinates. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:519-524 [Journal]
Yuji Takahata, Maria Cristina Andreazza Costa, Anderson Coser Gaudio Comparison between Neural Networks (NN) and Principal Component Analysis (PCA): Structure Activity Relationships of 1, 4-Dihydropyridine Calcium Channel Antagonists (Nifedipine Analogues). [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:540-544 [Journal]
Errol F. McCoy, Matthew J. Sykes Quantum-Mechanical QSAR/QSPR Descriptors from Momentum-Space Wave Functions. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:545-553 [Journal]
Andrey A. Toropov, T. Wayne Schultz Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Graph Invariants. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:560-567 [Journal]
David W. Miller A Chemical Class-Based Approach to Predictive Model Generation. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:568-578 [Journal]
Chenzhong Cao, Hua Yuan A New Approach of Evaluating Bond Dissociation Energy from Eigenvalue of Bonding Orbital-Connection Matrix for C-C and C-H Bonds in Alkane. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:600-608 [Journal]
Zhigang Zhou, Qianhuan Dai, Tong Gu A QSAR Model of PAHs Carcinogenesis Based on Thermodynamic Stabilities of Biactive Sites. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:615-621 [Journal]
Ray Hefferlin, W. Bradford Davis, Jason Ileto An Atlas of Forecasted Molecular Data. 1. Internuclear Separations of Main-Group and Transition-Metal Neutral Gas-Phase Diatomic Molecules in the Ground State. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:622-628 [Journal]
Scott A. Wildman, Gordon M. Crippen Validation of DAPPER for 3D QSAR: Conformational Search and Chirality Metric. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:629-636 [Journal]
Ramón Bosque, Joaquim Sales A QSPR Study of O-H Bond Dissociation Energy in Phenols. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:637-642 [Journal]
Chenzhong Cao, Yuanbin Lin Correlation between the Glass Transition Temperatures and Repeating Unit Structure for High Molecular Weight Polymers. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:643-650 [Journal]
Jaroslaw Polanski, Rafal Gieleciak The Comparative Molecular Surface Analysis (CoMSA) with Modified Uniformative Variable Elimination-PLS (UVE-PLS) Method: Application to the Steroids Binding the Aromatase Enzyme. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:656-666 [Journal]
Dragos Horvath, Catherine Jeandenans Neighborhood Behavior of in Silico Structural Spaces with Respect to in Vitro Activity Spaces-A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:680-690 [Journal]
Dragos Horvath, Catherine Jeandenans Neighborhood Behavior of in Silico Structural Spaces with Respect to In Vitro Activity Spaces-A Benchmark for Neighborhood Behavior Assessment of Different in Silico Similarity Metrics. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:691-698 [Journal]
Scheila Furtado Braga, Douglas Soares Galvão A Structure-Activity Study of Taxol, Taxotere, and Derivatives Using the Electronic Indices Methodology (EIM). [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:2, pp:699-706 [Journal]
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