Tingjun Hou, Xiaojie Xu ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors [J. Chem. Inf. Comput. Sci. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:43- [Journal]
Dusanka Janezic, Ante Graovac The Eighteenth International Course & Conference on the Interfaces among Mathematics, Chemistry & Computer Sciences June 23-28, 2003 Dubrovnik, Croatia. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:289- [Journal]
István László The Electronic Structure of Nonpolyhex Carbon Nanotubes. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:315-322 [Journal]
Marjan Vracko, Andrezej Szymoszek, Pierluigi Barbieri Structure-Mutagenicity Study of 12 Trimethylimidazopyridine Isomers Using Orbital Energies and "Spectrum-like Representation" As Descriptors. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:352-358 [Journal]
Milan Randic Algebraic Kekulé Formulas for Benzenoid Hydrocarbons. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:365-372 [Journal]
Milan Randic Wiener-Hosoya Index - A Novel Graph Theoretical Molecular Descriptor. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:373-377 [Journal]
Matevz Pompe, Joe M. Davis, Clint D. Samuel Prediction of Thermodynamic Parameters in Gas Chromatography from Molecular Structure: Hydrocarbons. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:399-409 [Journal]
Adolf Miklavc, Darko Kocjan Entropic Trapping Binding Mechanism: Its Likely Role in Receptor-Ligand and Other Biochemical Systems. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:422-426 [Journal]
Yongquan Han, Christoph Steinbeck Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:489-498 [Journal]
Xinhua Li, Maolin Hu, Hongping Xiao A Novel Definition of the Overall Hyper-Wiener Index for Unsaturated Hydrocarbons. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:508-514 [Journal]
Evgenii A. Smolenskii The Wiener Distance Matrix for Acyclic Compounds and Polymers. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:522-528 [Journal]
Kunal Roy, Gopinath Ghosh QSTR with Extended Topochemical Atom Indices. 2. Fish Toxicity of Substituted Benzenes. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:559-567 [Journal]
Francisco Torrens A Chemical Index Inspired by Biological Plastic Evolution: Valence-Isoelectronic Series of Aromatics. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:575-581 [Journal]
Julian Ivanov Molecular Symmetry Perception. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:596-600 [Journal]
Teodora Ivanciuc, Douglas J. Klein Parameter-Free Structure-Property Correlation via Progressive Reaction Posets for Substituted Benzenes. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:610-617 [Journal]
Andreas Teckentrup, Hans Briem, Johann Gasteiger Mining High-Throughput Screening Data of Combinatorial Libraries: Development of a Filter to Distinguish Hits from Nonhits. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:626-634 [Journal]
Jen-Shiang K. Yu, Jenn-Kang Hwang, Chuan Yi Tang, Chin-Hui Yu Numerical Performance and Throughput Benchmark for Electronic Structure Calculations in PC-Linux Systems with New Architectures, Updated Compilers, and Libraries. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:635-642 [Journal]
Chenzhong Cao, Li Liu Topological Steric Effect Index and Its Application. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:678-687 [Journal]
Ernesto Estrada, Grace Patlewicz, Yaquelin Gutierrez From Knowledge Generation to Knowledge Archive. A General Strategy Using TOPS-MODE with DEREK To Formulate New Alerts for Skin Sensitization. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:688-698 [Journal]
Wei Deng, Curt M. Breneman, Mark J. Embrechts Predicting Protein-Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:699-703 [Journal]
Robert P. Sheridan, Joseph Shpungin Calculating Similarities between Biological Activities in the MDL Drug Data Report Database. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:727-740 [Journal]
Hongmao Sun A Universal Molecular Descriptor System for Prediction of LogP, LogS, LogBB, and Absorption. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:748-757 [Journal]
Chris L. Waller A Comparative QSAR Study Using CoMFA, HQSAR, and FRED/SKEYS Paradigms for Estrogen Receptor Binding Affinities of Structurally Diverse Compounds. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:758-765 [Journal]
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