Journals in DBLP
Alexander Böcker , Swetlana Derksen , Elena Schmidt , Andreas Teckentrup , Gisbert Schneider A Hierarchical Clustering Approach for Large Compound Libraries. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:807-815 [Journal ] Michael Frenkel , Robert D. Chirico , Vladimir V. Diky , Xinjian Yan , Qian Dong , Chris Muzny ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:816-838 [Journal ] Sabcho Dimitrov , Gergana Dimitrova , Todor Pavlov , Nadezhda Dimitrova , Grace Patlewicz , Jay Niemela , Ovanes Mekenyan A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:839-849 [Journal ] Lijie Wang , Peter Warburton , Zsolt Szekeres , Peter Surjan , Paul G. Mezey Stability and Properties of Polyhelicenes and Annelated Fused-Ring Carbon Helices: Models Toward Helical Graphites. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:850-855 [Journal ] Suxin Zheng , Xiaomin Luo , Gang Chen , Weiliang Zhu , Jianhua Shen , Kaixian Chen , Hualiang Jiang A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:856-862 [Journal ] Robin Hewitt , Alberto Gobbi , Man-Ling Lee A Searching and Reporting System for Relational Databases Using a Graph-Based Metadata Representation. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:863-869 [Journal ] Teodora Ivanciuc , Ovidiu Ivanciuc , Douglas J. Klein Posetic Quantitative Superstructure/Activity Relationships (QSSARs) for Chlorobenzenes. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:870-879 [Journal ] Peter Zinn Adaptive Multicomponent Analysis by Genetic Algorithms. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:880-887 [Journal ] Sorel Muresan , Jens Sadowski "In-House Likeness": Comparison of Large Compound Collections Using Artificial Neural Networks. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:888-893 [Journal ] César Hervás-Martínez , Alfonso Carlos Martínez , Manuel Silva , Juan Manuel Serrano Improving the Quantification of Highly Overlapping Chromatographic Peaks by Using Product Unit Neural Networks Modeled by an Evolutionary Algorithm. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:894-903 [Journal ] Frances V. Buontempo , Xue Zhong Wang , Mulaisho Mwense , Nigel Horan , Anita Young , Daniel Osborn Genetic Programming for the Induction of Decision Trees to Model Ecotoxicity Data. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:904-912 [Journal ] Alan R. Katritzky , Indrek Tulp , Dan C. Fara , Antonino Lauria , Uko Maran , William E. Acree Jr. A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:913-923 [Journal ] Matthew D. Miller , David M. Yourtee , Alan G. Glaros , Cecil C. Chappelow , J. David Eick , Andrew J. Holder Quantum Mechanical Structure-Activity Relationship Analyses for Skin Sensitization. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:924-929 [Journal ] Milan Soskic , Dejan Plavsic Modeling the Octanol-Water Partition Coefficients by an Optimized Molecular Connectivity Index. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:930-938 [Journal ] Pierre Mahé , Nobuhisa Ueda , Tatsuya Akutsu , Jean-Luc Perret , Jean-Philippe Vert Graph Kernels for Molecular Structure-Activity Relationship Analysis with Support Vector Machines. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:939-951 [Journal ] Shengqiao Li , Adam Fedorowicz , Harshinder Singh , Sidney C. Soderholm Application of the Random Forest Method in Studies of Local Lymph Node Assay Based Skin Sensitization Data. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:952-964 [Journal ] Corneliu Buda , Abul B. Kazi , Adriana Dinescu , Thomas R. Cundari Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods. Groups 11 and 12 Transition Metals. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:965-970 [Journal ] James L. Melville , Kevin R. J. Lovelock , Claire Wilson , Bryan Allbutt , Edmund K. Burke , Barry Lygo , Jonathan D. Hirst Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure-Selectivity Relationships. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:971-981 [Journal ] C. W. Yap , Y. Z. Chen Prediction of Cytochrome P450 3A4, 2D6, and 2C9 Inhibitors and Substrates by Using Support Vector Machines. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:982-992 [Journal ] Simon S. J. Cross Improved FlexX Docking Using FlexS-Determined Base Fragment Placement. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:993-1001 [Journal ] Mircea V. Diudea Nanoporous Carbon Allotropes by Septupling Map Operations. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1002-1009 [Journal ] Jr-Hung Lin , Timothy Clark Nanoporous Carbon Allotropes by Septupling Map Operations. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1010-1016 [Journal ] Vladimir N. Maiorov , Robert P. Sheridan Enhanced Virtual Screening by Combined Use of Two Docking Methods: Getting the Most on a Limited Budget. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1017-1023 [Journal ] Qi Shen , Jian-Hui Jiang , Jing-chao Tao , Guo-Li Shen , Ru-Qin Yu Modified Ant Colony Optimization Algorithm for Variable Selection in QSAR Modeling: QSAR Studies of Cyclooxygenase Inhibitors. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1024-1029 [Journal ] Jan Cz. Dobrowolski , Aleksander P. Mazurek Model Carbyne vs Ideal and DNA Catenanes. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1030-1038 [Journal ] Harald Mauser , Olivier Roche , Martin Stahl , Stephan Müller Prediction of UV and ESI-MS Signal Intensities. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1039-1046 [Journal ] Brian S. Henriksen , Todd J. Zahn , Jeffrey D. Evanseck , Steven M. Firestine , Richard A. Gibbs Computational and Conformational Evaluation of FTase Alternative Substrates: Insight into a Novel Enzyme Binding Pocket. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1047-1052 [Journal ] Bernd Ehresmann , Marcel J. de Groot , Timothy Clark Surface-Integral QSPR Models: Local Energy Properties. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1053-1060 [Journal ] Chidochangu P. Mpamhanga , Beining Chen , Iain M. McLay , Daniel L. Ormsby , Mika K. Lindvall Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1061-1074 [Journal ] Alban Lepailleur , Ronan Bureau , Magalie Paillet-Loilier , Frédéric Fabis , Nicolas Saettel , Stéphane Lemaître , François Dauphin , Aurélien Lesnard , Jean-Charles Lancelot , Sylvain Rault Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1075-1081 [Journal ] Yovani Marrero-Ponce , Maité Iyarreta-Veitía , Alina Montero-Torres , Carlos Romero-Zaldivar , Carlos A. Brandt , Priscilla E. Ávila , Karin Kirchgatter , Yanetsy Machado Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1082-1100 [Journal ] B. Gopalakrishnan , V. Aparna , J. Jeevan , M. Ravi , G. R. Desiraju A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents Based on Docking and Pharmacophore Models. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1101-1108 [Journal ] Rajarshi Guha , David T. Stanton , Peter C. Jurs Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1109-1121 [Journal ] Jamal C. Saeh , Paul D. Lyne , Bryan K. Takasaki , David A. Cosgrove Lead Hopping Using SVM and 3D Pharmacophore Fingerprints. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1122-1133 [Journal ] Jinn-Moon Yang , Yen-Fu Chen , Tsai-Wei Shen , Bruce S. Kristal , D. Frank Hsu Consensus Scoring Criteria for Improving Enrichment in Virtual Screening. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1134-1146 [Journal ] Pasak Senawongse , Andrew R. Dalby , Zheng Rong Yang Predicting the Phosphorylation Sites Using Hidden Markov Models and Machine Learning Methods. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:1147-1152 [Journal ]