Journals in DBLP
Dilip K. Sinha , Subhash C. Basak Fourth Indo-U.S. Workshop on Mathematical Chemistry, January 8-12, 2005, Pune, Maharashtra, India. [Citation Graph (0, 0)][DBLP ] Journal ] Matevz Pompe , Milan Randic "Anticonnectivity": A Challenge for Structure-Property-Activity Studies. [Citation Graph (0, 0)][DBLP ] Journal ] Douglas M. Hawkins , Subhash C. Basak , Jessica J. Kraker , Kevin T. Geiss , Frank A. Witzmann Combining Chemodescriptors and Biodescriptors in Quantitative Structure-Activity Relationship Modeling. [Citation Graph (0, 0)][DBLP ] Journal ] Om Prakash Pandey , Indira Ghosh Developing an Antituberculosis Compounds Database and Data Mining in the Search of a Motif Responsible for the Activity of a Diverse Class of Antituberculosis Agents. [Citation Graph (0, 0)][DBLP ] Journal ] Subhash Ajmani , Kamalakar Jadhav , Sudhir A. Kulkarni Three-Dimensional QSAR Using the k-Nearest Neighbor Method and Its Interpretation. [Citation Graph (0, 0)][DBLP ] Journal ] Marco Pintore , Christophe Wechman , Gilles Sicard , Maurice Chastrette , Nicolas Amaury , Jacques R. Chrétien Comparing the Information Content of Two Large Olfactory Databases. [Citation Graph (0, 0)][DBLP ] Journal ] Philip Prathipati , Anil K. Saxena Evaluation of Binary QSAR Models Derived from LUDI and MOE Scoring Functions for Structure Based Virtual Screening. [Citation Graph (0, 0)][DBLP ] Journal ] Yenamandra S. Prabhakar , Krishnan Balasubramanian A Simple Algorithm for Unique Representation of Chemical Structures-Cyclic/Acyclic Functionalized Achiral Molecules. [Citation Graph (0, 0)][DBLP ] Journal ] Milan Randic , Alexandru T. Balaban Partitioning of pi-Electrons in Rings for Clar Structures of Benzenoid Hydrocarbons. [Citation Graph (0, 0)][DBLP ] Journal ] Subhash C. Basak , Ramanathan Natarajan , Denise R. Mills , Douglas M. Hawkins , Jessica J. Kraker Quantitative Structure-Activity Relationship Modeling of Juvenile Hormone Mimetic Compounds for Culex P ipiens Larvae, with a Discussion of Descriptor-Thinning Methods. [Citation Graph (0, 0)][DBLP ] Journal ] Samrat Dutta , Poonam Singhal , Praveen Agrawal , Raju Tomer , Kritee , Ekta Khurana , B. Jayaram A Physicochemical Model for Analyzing DNA Sequences. [Citation Graph (0, 0)][DBLP ] Journal ] Yenamandra S. Prabhakar , Manish K. Gupta , Nobendu Roy , Yenamandra Venkateswarlu A High Dimensional QSAR Study on the Aldose Reductase Inhibitory Activity of Some Flavones: Topological Descriptors in Modeling the Activity. [Citation Graph (0, 0)][DBLP ] Journal ] Manish K. Gupta , Yenamandra S. Prabhakar Topological Descriptors in Modeling the Antimalarial Activity of 4-(3', 5'-Disubstituted anilino)quinolines. [Citation Graph (0, 0)][DBLP ] Journal ] Mamta Thakur , Abhilash Thakur , Krishnan Balasubramanian QSAR and SAR Studies on the Reduction of Some Aromatic Nitro Compounds by Xanthine Oxidase. [Citation Graph (0, 0)][DBLP ] Journal ] Akbar S. Khan , Cesar V. Mujer , Timothy G. Alefantis , Joseph P. Connolly , Ulrike Beate Mayr , Petra Walcher , Werner Lubitz , Vito G. DelVecchio Proteomics and Bioinformatics Strategies to Design Countermeasures against Infectious Threat Agents. [Citation Graph (0, 0)][DBLP ] Journal ] Milan Randic , Frank A. Witzmann , Varshna Kodali , Subhash C. Basak On the Dependence of a Characterization of Proteomics Maps on the Number of Protein Spots Considered. [Citation Graph (0, 0)][DBLP ] Journal ] R. Sathyapriya , K. V. Brinda , Saraswathi Vishveshwara Correlation of the Side-Chain Hubs with the Functional Residues in DNA Binding Protein Structures. [Citation Graph (0, 0)][DBLP ] Journal ] Marjan Vracko , Subhash C. Basak , Kevin T. Geiss , Frank A. Witzmann Proteomic Maps-Toxicity Relationship of Halocarbons Studied with Similarity Index and Genetic Algorithm. [Citation Graph (0, 0)][DBLP ] Journal ] Yun-De Xiao , Rebecca Harris , Ersin Bayram , Peter Santago II , Jeffrey D. Schmitt Supervised Self-Organizing Maps in Drug Discovery. 2. Improvements in Descriptor Selection and Model Validation. [Citation Graph (0, 0)][DBLP ] Journal ] Gemma L. Holliday , Peter Murray-Rust , Henry S. Rzepa Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions. [Citation Graph (0, 0)][DBLP ] Journal ] Zsolt Lepp , Takashi Kinoshita , Hiroshi Chuman Screening for New Antidepressant Leads of Multiple Activities by Support Vector Machines. [Citation Graph (0, 0)][DBLP ] Journal ] Anna Maria Almerico , Marco Tutone , Antonino Lauria , Patrizia Diana , Paola Barraja , Alessandra Montalbano , Girolamo Cirrincione , Gaetano Dattolo A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation. [Citation Graph (0, 0)][DBLP ] Journal ] Robert P. Sheridan , Peter Hunt , J. Christopher Culberson Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR. [Citation Graph (0, 0)][DBLP ] Journal ] Meir Glick , Jeremy L. Jenkins , James H. Nettles , Hamilton Hitchings , John W. Davies Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers. [Citation Graph (0, 0)][DBLP ] Journal ] Andrew Smellie , Christopher J. Wilson , Shi Chung Ng Visualization and Interpretation of High Content Screening Data. [Citation Graph (0, 0)][DBLP ] Journal ] Nikolaus Stiefl , Ian A. Watson , Knut Baumann , Andrea Zaliani ErG: 2D Pharmacophore Descriptions for Scaffold Hopping. [Citation Graph (0, 0)][DBLP ] Journal ] Shinji Amari , Masahiro Aizawa , Junwei Zhang , Kaori Fukuzawa , Yuji Mochizuki , Yoshio Iwasawa , Kotoko Nakata , Hiroshi Chuman , Tatsuya Nakano VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening. [Citation Graph (0, 0)][DBLP ] Journal ] Matthew Clark , Frank Guarnieri , Igor Shkurko , Jeff Wiseman Grand Canonical Monte Carlo Simulation of Ligand-Protein Binding. [Citation Graph (0, 0)][DBLP ] Journal ] Niu Huang , Chakrapani Kalyanaraman , John J. Irwin , Matthew P. Jacobson Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening. [Citation Graph (0, 0)][DBLP ] Journal ] Philippe Ferrara , Alessandro Curioni , Eric Vangrevelinghe , T. Meyer , Tiziana Mordasini , Wanda Andreoni , Pierre Acklin , Edgar Jacoby New Scoring Functions for Virtual Screening from Molecular Dynamics Simulations with a Quantum-Refined Force-Field (QRFF-MD). Application to Cyclin-Dependent Kinase 2. [Citation Graph (0, 0)][DBLP ] Journal ] Orazio Nicolotti , Angelo Carotti QSAR and QSPR Studies of a Highly Structured Physicochemical Domain. [Citation Graph (0, 0)][DBLP ] Journal ] J. Christian Baber , William A. Shirley , Yinghong Gao , Miklos Feher The Use of Consensus Scoring in Ligand-Based Virtual Screening. [Citation Graph (0, 0)][DBLP ] Journal ] Prabha Garg , Jitender Verma In Silico Prediction of Blood Brain Barrier Permeability: An Artificial Neural Network Model. [Citation Graph (0, 0)][DBLP ] Journal ] Sung Jin Cho , Yaxiong Sun FLAME: A Program to Flexibly Align Molecules. [Citation Graph (0, 0)][DBLP ] Journal ] Douglas J. Klein , Alexandru T. Balaban The Eight Classes of Positive-Curvature Graphitic Nanocones. [Citation Graph (0, 0)][DBLP ] Journal ] Debojyoti Dutta , Rajarshi Guha , Peter C. Jurs , Ting Chen Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. [Citation Graph (0, 0)][DBLP ] Journal ] Debra L. Bautista , Deanna H. Morris , Lauren Stein , Wesley Asher , Timothy Hammitt A Two Model Receptor System of the Alpha1D Adrenergic Receptor To Describe Interactions with Epinephrine and BMY7378. [Citation Graph (0, 0)][DBLP ] Journal ] Osvaldo Andrade Santos-Filho , Anton J. Hopfinger Structure-Based QSAR Analysis of a Set of 4-Hydroxy-5, 6-dihydropyrones as Inhibitors of HIV-1 Protease: An Application of the Receptor-Dependent (RD) 4D-QSAR Formalism. [Citation Graph (0, 0)][DBLP ] Journal ] Shane D. Peterson , Wesley Schaal , Anders Karlén Improved CoMFA Modeling by Optimization of Settings. [Citation Graph (0, 0)][DBLP ] Journal ] Visvaldas Kairys , Miguel X. Fernandes , Michael K. Gilson Screening Drug-Like Compounds by Docking to Homology Models: A Systematic Study. [Citation Graph (0, 0)][DBLP ] Journal ] Akifumi Oda , Keiichi Tsuchida , Tadakazu Takakura , Noriyuki Yamaotsu , Shuichi Hirono Comparison of Consensus Scoring Strategies for Evaluating Computational Models of Protein-Ligand Complexes. [Citation Graph (0, 0)][DBLP ] Journal ] Minghu Song , Matthew Clark Development and Evaluation of an in Silico Model for hERG Binding. [Citation Graph (0, 0)][DBLP ] Journal ] Hongming Chen , Paul D. Lyne , Fabrizio Giordanetto , Timothy Lovell , Jin Li On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors. [Citation Graph (0, 0)][DBLP ] Journal ] Tomasz Arodz , David A. Yuen , Arkadiusz Z. Dudek Ensemble of Linear Models for Predicting Drug Properties. [Citation Graph (0, 0)][DBLP ] Journal ] Dirk Neumann , Oliver Kohlbacher , Christian Merkwirth , Thomas Lengauer A Fully Computational Model for Predicting Percutaneous Drug Absorption. [Citation Graph (0, 0)][DBLP ] Journal ] Anders Wallqvist , Ruili Huang , Narmada Thanki , David G. Covell Evaluating Chemical Structure Similarity as an Indicator of Cellular Growth Inhibition. [Citation Graph (0, 0)][DBLP ] Journal ] Vicky Choi On Updating Torsion Angles of Molecular Conformations. [Citation Graph (0, 0)][DBLP ] Journal ] L. Y. Han , H. H. Lin , Z. R. Li , C. J. Zheng , Z. W. Cao , B. Xie , Y. Z. Chen PEARLS: Program for Energetic Analysis of Receptor-Ligand System. [Citation Graph (0, 0)][DBLP ] Journal ] 