Search results for "Chemoinformatics"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
3	Nathan Brown	Chemoinformatics - an introduction for computer scientists.	ACM Comput. Surv.	2009	DBLP DOI BibTeX RDF	molecular modeling, drug discovery, docking, QSAR, Chemoinformatics, chemometrics
3	Peter Willett 0002	Chemoinformatics: an application domain for information retrieval techniques.	SIGIR	2004	DBLP DOI BibTeX RDF	substructure searching, relevance feedback, data fusion, similarity searching, chemistry, virtual screening, molecules, cluster hypothesis, chemoinformatics
2	Fabrice Colas, Ingrid Meulenbelt, Jeanine J. Houwing-Duistermaat, Margreet Kloppenburg, Iain Watt, Stephanie M. van Rooden, Martine Visser, Johan Marinus, Edward O. Cannon, Andreas Bender, Jacobus J. van Hilten, P. Eline Slagboom, Joost N. Kok	A Scenario Implementation in Rfor SubtypeDiscoveryExamplified on Chemoinformatics Data.	ISoLA	2008	DBLP DOI BibTeX RDF
2	Ilkka Havukkala, Lubica Benuskova, Shaoning Pang, Vishal Jain, Rene Kroon, Nikola Kasabov	Image and Fractal Information Processing for Large-Scale Chemoinformatics, Genomics Analyses and Pattern Discovery.	PRIB	2006	DBLP DOI BibTeX RDF
1	Aaron Sterling	Review of handbook of chemoinformatics algorithms by Faulon.	SIGACT News	2011	DBLP DOI BibTeX RDF
1	Eleanor J. Gardiner	Graph applications in chemoinformatics and structural bioinformatics.	Graph Data Management	2011	DBLP DOI BibTeX RDF
1	Koji Tsuda	Graph Classification Methods in Chemoinformatics.	Handbook of Statistical Bioinformatics	2011	DBLP DOI BibTeX RDF
1	Benoit Gaüzère, Luc Brun, Didier Villemin	Two New Graph Kernels and Applications to Chemoinformatics.	GbRPR	2011	DBLP DOI BibTeX RDF
1	Martin Vogt, Anne Mai Wassermann, Jürgen Bajorath	Application of Information - Theoretic Concepts in Chemoinformatics.	Information	2010	DBLP DOI BibTeX RDF
1	Maciej Haranczyk, Maciej Gutowski	Combinatorial-computational-chemoinformatics (C3) approach to finding and analyzing low-energy tautomers.	Journal of Computer-Aided Molecular Design	2010	DBLP DOI BibTeX RDF
1	Changjiu Jin, Sourav S. Bhowmick, Xiaokui Xiao, James Cheng, Byron Choi	GBLENDER: towards blending visual query formulation and query processing in graph databases.	SIGMOD Conference	2010	DBLP DOI BibTeX RDF	infrequent subgraphs, visual query formulation, prefetching, graph databases, frequent subgraphs, graph indexing
1	Peter Willett	Similarity methods in chemoinformatics.	ARIST	2009	DBLP DOI BibTeX RDF
1	Joel Masciocchi, Gianfranco Frau, Marco Fanton, Mattia Sturlese, Matteo Floris, Luca Pireddu, Piergiorgio Palla, Fabian Cedrati, Patricia Rodriguez-Tomé, Stefano Moro	MMsINC: a large-scale chemoinformatics database.	Nucleic Acids Research	2009	DBLP DOI BibTeX RDF
1	Taneja Shweta, Raheja Shipra, Kaur Savneet	Using Supervised Learning and Comparing General and ANTI-HIV Drug Databases Using Chemoinformatics.	PReMI	2009	DBLP DOI BibTeX RDF
1	Shereena M. Arif, Jérôme Hert, John D. Holliday, Nurul Malim, Peter Willett 0002	Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence.	PRIB	2009	DBLP DOI BibTeX RDF	Fragment substructure, Turbo similarity searching, Similarity measure, Fingerprint, Similarity searching, Virtual screening, Weighting scheme, Chemoinformatics
1	Bingjun Sun, Prasenjit Mitra, C. Lee Giles	Learning to rank graphs for online similar graph search.	CIKM	2009	DBLP DOI BibTeX RDF	similarity graph search, learn to rank, graph kernel
1	Tomoki Imada, Shunsuke Ota, Hiroshi Nagamochi, Tatsuya Akutsu	Enumerating Stereoisomers of Tree Structured Molecules Using Dynamic Programming.	ISAAC	2009	DBLP DOI BibTeX RDF
1	Peter Willett	From chemical documentation to chemoinformatics: 50 years of chemical information science.	J. Information Science	2008	DBLP DOI BibTeX RDF
1	Marco Fanton, Matteo Floris, Gianfranco Frau, Mattia Sturlese, Joel Masciocchi, Piergiorgio Palla, Fabian Cedrati, Patricia Rodriguez-Tomé, Stefano Moro	MMsINC®: A New Public Large-Scale Chemoinformatics Database System.	BIOTECHNO	2008	DBLP DOI BibTeX RDF
1	Mukesh Doble, William Loging, James Malone, Vincent Shin-Mu Tseng (eds.)	International Conference on Bioinformatics, Computational Biology, Genomics and Chemoinformatics, BCBGC-08, Orlando, Florida, USA , July 7-10, 2008	BCBGC	2008	DBLP BibTeX RDF
1	Zahra Mahoor, Mohammad Saraee, Mohammad Davarpanah Jazi	Improvement of Association-based Gene Mapping Accuracy by Selecting High Rank Features.	BCBGC	2008	DBLP BibTeX RDF
1	K. R. Seeja, M. Afshar Alam, S. K. Jain	A Closed Frequent Itemset Mining Algorithm for Gene Expression Databases.	BCBGC	2008	DBLP BibTeX RDF
1	Ahmed Albatineh, Reza Razeghifard	Clustering Amino Acids Using Maximum Clusters Similarity.	BCBGC	2008	DBLP BibTeX RDF
1	Klemen Spaninger, Rok Kosir, Tadeja Rezen, Natasa Debeljak, Martina Fink, Damjana Rozman	Comparative Promoter Analysis of model Circadian and Circadian Output Genes.	BCBGC	2008	DBLP BibTeX RDF
1	K. Neeraj, S. Naresh	Cockroach & Lizard from evolutionary point of view.	BCBGC	2008	DBLP BibTeX RDF
1	Jianghui Xiong, Chen Wang, Bai Zhang, Yue Joseph Wang, Eric P. Hoffman, Robert Clarke, Jianhua Xuan	Inferring Condition-Specific miRNA-Gene Modules from miRNA and mRNA Profiling Data.	BCBGC	2008	DBLP BibTeX RDF
1	Debra J. Knisley, Jeff Knisley, Leonard Roberts	Biomolecular Invariants of Amino Acid Trees.	BCBGC	2008	DBLP BibTeX RDF
1	Fan Wu, Pei-Ran Sun, Bo-Han Wang	Using RFID to guard inpatient medication safety.	BCBGC	2008	DBLP BibTeX RDF
1	S. K. Ray, N. Latchumi, A. Yamini, K. Meera, S. Naresh, R. R. Chandrasekhar, S. Gayathri, Soumyarupa De, Gayatri Ankem	Mutation at 235th Nucleotide in Mutated Myc Gene Down-Regulates Over-Expression and Cancer Growth: A Computational Genomic Approach.	BCBGC	2008	DBLP BibTeX RDF
1	Donna L. Beales	Helminths in the Treatment of Hereditary Angioedema: A Theoretical Model in Support of a Novel Therapeutic Option.	BCBGC	2008	DBLP BibTeX RDF
1	Bruno S. Andrade, Alex G. Taranto, Shaila C. S. Roessle, Aristoteles Goes-Neto, Mitchell A. Avery	Comparative Modeling of DNA and RNA Polymerases from Moniliophthora perniciosa Mitochondrial Plasmid.	BCBGC	2008	DBLP BibTeX RDF
1	Viktoria Gontcharova, Eun Youn, Casey R. Richardson, Chuck Morton, Manoj Pratim Samanta, Qingjun Luo, Chris Rock	Feature Evaluation of the Support Vector Machine for micro-RNA Target Site Prediction in Arabidopsis thaliana.	BCBGC	2008	DBLP BibTeX RDF
1	Meena K. Sakharkar, Kishore R. Sakharkar	Therapeutic targets and their drugs.	BCBGC	2008	DBLP BibTeX RDF
1	Chen Wang, Jianhua Xuan, Li Chen, Eric P. Hoffman, Robert Clarke	Reliability Analysis of Transcriptional Regulatory Networks.	BCBGC	2008	DBLP BibTeX RDF
1	Hasan Ogul	Prediction of Disulfide Connectivity Patterns from Protein Sequence.	BCBGC	2008	DBLP BibTeX RDF
1	Yunmei Chen, Guifang Fu, Rongling Wu	Integration of Functional Mapping and Delay Differential Equations to Map the Genes that Regulate Circadian Rhythms.	BCBGC	2008	DBLP BibTeX RDF
1	Jan Schröder, Manfred Schimmler, Heiko Schröder, Karsten Tischer	BMA - Boolean Matrices as Model for Motif Kernels.	BCBGC	2008	DBLP BibTeX RDF
1	Himanshu Grover, Jonathan L. Lustgarten, Shyam Visweswaran, Vanathi Gopalakrishnan	Improving Peptide Identification via Validation with Intensity-based Modeling of Tandem Mass Spectra.	BCBGC	2008	DBLP BibTeX RDF
1	Nidhi Arora, M. P. S. Bhatia	Analysis of Cancer Genes using Bioinformatics Tools.	BCBGC	2008	DBLP BibTeX RDF
1	Sujata Roy, Ashoke Ranjan Thakur	Dynamic behaviour of water in the DNAProtein Interface of the Antennapedia homeodomain-DNA complex.	BCBGC	2008	DBLP BibTeX RDF
1	Hiroto Saigo, Nicole Krämer, Koji Tsuda	Partial least squares regression for graph mining.	KDD	2008	DBLP DOI BibTeX RDF	graph boosting, partial least squares regression, graph mining, chemoinformatics
1	Roberto Therón, Esther del Olmo, David Díaz, Miguel Vaquero, José Francisco Adserias, José Luis López-Pérez	NATPRO-C13 - An Interactive Tool for the Structural Elucidation of Natural Compounds.	Innovations in Hybrid Intelligent Systems	2008	DBLP DOI BibTeX RDF	structural elucidation, 13C NMR spectral database, natural compounds, chemoinformatics, SMILES
1	Christian Hübler, Hans-Peter Kriegel, Karsten M. Borgwardt, Zoubin Ghahramani	Metropolis Algorithms for Representative Subgraph Sampling.	ICDM	2008	DBLP DOI BibTeX RDF
1	Axel J. Soto, Rocío L. Cecchini, Gustavo E. Vazquez, Ignacio Ponzoni	A Wrapper-Based Feature Selection Method for ADMET Prediction Using Evolutionary Computing.	EvoBIO	2008	DBLP DOI BibTeX RDF	hydrophobicity, Genetic Algorithms, Feature Selection, QSAR
1	Pierre Baldi	Machine Learning Challenges in Chemoinformatics and Drug Screening and Design.	ICMLA	2007	DBLP DOI BibTeX RDF
1	Thashmee Karunaratne, Henrik Boström	Using Background Knowledge for Graph Based Learning: A Case Study in Chemoinformatics.	IMECS	2007	DBLP BibTeX RDF
1	Jehan Zeb Shah, Naomie Salim	A Soft Hierarchical Algorithm for the Clustering of Multiple Bioactive Chemical Compounds.	BIRD	2007	DBLP DOI BibTeX RDF	chemical information systems, bioinformatics, cluster analysis, fuzzy c-means, chemoinformatics
1	David J. Wild, Gary Wiggins	Videoconferencing and Other Distance Education Techniques in Chemoinformatics Teaching and Research at Indiana University.	Journal of Chemical Information and Modeling	2006	DBLP DOI BibTeX RDF
1	Yazdan Mansourian	Chemoinformatics and the World Wide Web: An Interview with Professor Peter Willett.	Webology	2006	DBLP BibTeX RDF
1	Boris Hollas	An analysis of the redundancy of graph invariants used in chemoinformatics.	Discrete Applied Mathematics	2006	DBLP DOI BibTeX RDF
1	José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díez, Miguel Vaquero, José Francisco Adserias	Application of Chemoinformatics to the Structural Elucidation of Natural Compounds.	IDEAL	2006	DBLP DOI BibTeX RDF	structural elucidation, 13C NMR spectral database, natural compounds
1	Dharmesh M. Maniyar, Ian T. Nabney	Visual data mining using principled projection algorithms and information visualization techniques.	KDD	2006	DBLP DOI BibTeX RDF	information visualization techniques, probabilistic projection algorithms, visual data mining
1	Edward O. Cannon, John B. O. Mitchell	Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint.	CompLife	2006	DBLP DOI BibTeX RDF
1	Svava Ósk Jónsdóttir, Flemming Steen Jørgensen, Søren Brunak	Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates.	Bioinformatics	2005	DBLP DOI BibTeX RDF
1	Jonathan H. Chen, Sanjay Joshua Swamidass, Yimeng Dou, Jocelyne Bruand, Pierre Baldi	ChemDB: a public database of small molecules and related chemoinformatics resources.	Bioinformatics	2005	DBLP DOI BibTeX RDF
1	Walter Cedeñto, Dimitris K. Agraflotis	Particle swarms for drug design.	Congress on Evolutionary Computation	2005	DBLP DOI BibTeX RDF
1	Sanjay Joshua Swamidass, Pierre Baldi	Statistical Distribution of Chemical Fingerprints.	WILF	2005	DBLP DOI BibTeX RDF
1	Achim Kless, Tatjana Eitrich	Cytochrome P450 Classification of Drugs with Support Vector Machines Implementing the Nearest Point Algorithm.	KELSI	2004	DBLP DOI BibTeX RDF
1	Abiola Oduguwa, Ashutosh Tiwari, Rajkumar Roy, Conrad Bessant	An Overview of Soft Computing Techniques Used in the Drug Discovery Process.	WSC	2004	DBLP DOI BibTeX RDF
1	Hugo Kubinyi	Book Review: Andrew R. Leach and Valerie J. Gillet. An Introduction to Chemoinformatics.	Journal of Computer-Aided Molecular Design	2003	DBLP DOI BibTeX RDF
1	Jürgen Bajorath	Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries.	Journal of Computer-Aided Molecular Design	2002	DBLP DOI BibTeX RDF
1	Muthukumarasamy Karthikeyan, Subramanian Krishnan	Chemoinformatics: a tool for modern drug discovery.	IJITM	2002	DBLP DOI BibTeX RDF
1	Richard G. A. Bone, Michael A. Firth, Richard A. Sykes	SMILES Extensions for Pattern Matching and Molecular Transformations: Applications in Chemoinformatics.	Journal of Chemical Information and Computer Sciences	1999	DBLP DOI BibTeX RDF