Search results for "compounds"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
107	Kun-Ming Yu, Yi-Yan Chang, Jiayi Zhou, Chun-Yuan Huang, Whei-meih Chang, Chun-Yuan Lin, Chuan Yi Tang	Chemical Compounds with Path Frequency Using Multi-Core Technology.	Infoscale	2009	DBLP DOI BibTeX RDF	Chemical compound, Multi-Core Processing, Branch-and-Bound, OpenMP, feature space
96	Barry Devereux, Fintan J. Costello	Investigating the Relations used in Conceptual Combination.	Artif. Intell. Rev.	2005	DBLP DOI BibTeX RDF	CARIN model, conceptual combination, noun-noun compounds, thematic relations
78	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
78	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
65	Preslav Nakov	Noun Compound Interpretation Using Paraphrasing Verbs: Feasibility Study.	AIMSA	2008	DBLP DOI BibTeX RDF	Noun Compounds, Lexical Semantics, Paraphrasing
63	Christos Kravvaritis, Marilena Mitrouli	Compound matrices: properties, numerical issues and analytical computations.	Numer. Algorithms	2009	DBLP DOI BibTeX RDF	Mathematics Subject Classifications (2000) 15A21, 15A57, 65F40, 15A75, 15A23, 05B20
63	David Hecht, Gary B. Fogel	High-Throughput Ligand Screening via Preclustering and Evolved Neural Networks.	IEEE ACM Trans. Comput. Biol. Bioinform.	2007	DBLP DOI BibTeX RDF	medicine and science, evolutionary computation, artificial neural networks, Computational intelligence
57	Amanda C. Schierz, Ross D. King	Drugs and Drug-Like Compounds: Discriminating Approved Pharmaceuticals from Screening-Library Compounds.	PRIB	2009	DBLP DOI BibTeX RDF	drug-likeness, Rule of 5, compound screening library, machine learning, Inductive Logic Programming
57	Mukund Deshpande, Michihiro Kuramochi, Nikil Wale, George Karypis	Frequent Substructure-Based Approaches for Classifying Chemical Compounds.	IEEE Trans. Knowl. Data Eng.	2005	DBLP DOI BibTeX RDF	chemical compounds, Classification, SVM, graphs, virtual screening
55	Ryszard Tadeusiewicz	Using Neural Models for Evaluation of Biological Activity of Selected Chemical Compounds.	Applications of Computational Intelligence in Biology	2008	DBLP DOI BibTeX RDF
55	Cvetana Krstev, Dusko Vitas, Agata Savary	Prerequisites for a Comprehensive Dictionary of Serbian Compounds.	FinTAL	2006	DBLP DOI BibTeX RDF
55	Su Nam Kim, Timothy Baldwin	Automatic Interpretation of Noun Compounds Using WordNet Similarity.	IJCNLP	2005	DBLP DOI BibTeX RDF
52	Satoshi Fujishima, Yoshimasa Takahashi, Katsumi Nishikori, Hiroaki Kato, Takashi Okada	Extended Study of the Classification of Dopamine Receptor Agonists and Antagonists using a TFS-based Support Vector Machine.	New Gener. Comput.	2007	DBLP DOI BibTeX RDF	Topological Fragment Spectra, Dopamine Agonists, Dopamine Antagonists, Support Vector Machine, Pattern Classification
46	Brendan S. Gillon	Tagging Classical Sanskrit Compounds.	Sanskrit Computational Linguistics	2009	DBLP DOI BibTeX RDF	A?? ?dhy? y?, Classical Sanskrit, compounds, context free rules, P??ini
46	Tomasz Stepien, Bartosz Podlejski	Semi-automatic Creation of a Dictionary of Nominal Compounds.	LTC	2007	DBLP DOI BibTeX RDF	dictionary creation, nominal compounds, noun chains, machine translation
44	Quan Wen 0001, Jean Gao, Kate Luby-Phelps	Region-based tracking of protein compounds.	ISBI	2006	DBLP DOI BibTeX RDF
44	Uko Maran, Sulev Sild	QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds.	Artif. Intell. Rev.	2003	DBLP DOI BibTeX RDF	Ames test, forward selection, molecular descriptors, mutagenicity, multi-linear regression, quantum chemical descriptors, neural network, QSAR
44	Christodoulos A. Nicolaou	Identification of Lead Compounds in Pharmaceutical Data Using Data Mining Techniques.	Panhellenic Conference on Informatics	2001	DBLP DOI BibTeX RDF
44	Stefania Bandini, Sara Manzoni	A Support System Based on CBR for the Design of Rubber Compounds in Motor Racing.	EWCBR	2000	DBLP DOI BibTeX RDF
44	Dermot Lynott, Georgios Tagalakis, Mark T. Keane	Conceptual Combination with PUNC.	Artif. Intell. Rev.	2004	DBLP DOI BibTeX RDF	conceptual combination, noun-noun compounds, informativeness, diagnosticity, familiarity, plausibility
44	Dermot Lynott, Georgios Tagalakis, Mark T. Keane	Conceptual Combination with PUNC.	Artif. Intell. Rev.	2004	DBLP DOI BibTeX RDF	conceptual combination, noun-noun compounds, informativeness, diagnosticity, familiarity, plausibility
42	Omix Yu-Chian Chen	Pharmacoinformatics approach to the discovery of novel selective COX-2 inhibitors by in silico virtual screening.	IJCNN	2008	DBLP DOI BibTeX RDF
42	Emre Karakoç, Artem Cherkasov, Süleyman Cenk Sahinalp	Novel approaches for small biomolecule classification and structural similarity search.	SIGKDD Explor.	2007	DBLP DOI BibTeX RDF
42	M. L. Ujwal, Patrick Hoffman, Kenneth A. Marx	A Machine Learning Approach to Pharmacological Profiling of the Quinone Scaffold in the NCI Database: A Compound Class Enriched in Those Effective Against Melanoma and Leukemia Cell Lines.	BIBE	2007	DBLP DOI BibTeX RDF
42	Áprád Furka	Combinatorial synthesis on macroscopic solid support units.	RECOMB	2003	DBLP DOI BibTeX RDF
42	Cholwich Nattee, Sukree Sinthupinyo, Masayuki Numao, Takashi Okada	Mining Chemical Compound Structure Data Using Inductive Logic Programming.	Active Mining	2003	DBLP DOI BibTeX RDF
42	Stefan Kramer 0001, Luc De Raedt, Christoph Helma	Molecular feature mining in HIV data.	KDD	2001	DBLP DOI BibTeX RDF
42	Yvonne C. Martin, Mark G. Bures	Molecular diversity: strategies and concerns (abstract only).	RECOMB	2000	DBLP DOI BibTeX RDF
42	Srinivas Krovvidy, William G. Wee, R. Scott Summers, John J. Coleman	An AI approach for wastewater treatment systems.	Appl. Intell.	1991	DBLP DOI BibTeX RDF	Wastewater treatment, machine learning, synthesis, heuristic search, Hopfield network
39	Sheng Tian, Youyong Li, Junmei Wang, Xiaojie Xu, Lei Xu 0035, Xiaohong Wang, Lei Chen, Tingjun Hou	Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines.	J. Cheminformatics	2013	DBLP DOI BibTeX RDF
39	Mingyun Shen, Sheng Tian, Youyong Li, Qian Li, Xiaojie Xu, Junmei Wang, Tingjun Hou	Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.	J. Cheminformatics	2012	DBLP DOI BibTeX RDF
34	Georg Hinselmann, Andreas Jahn 0001, Nikolas Fechner, Andreas Zell	Chronic Rat Toxicity Prediction of Chemical Compounds Using Kernel Machines.	EvoBIO	2009	DBLP DOI BibTeX RDF
34	Pansy D. Patel, Artëm E. Masunov	Time-Dependent Density Functional Theory Study of Structure-Property Relationships in Diarylethene Photochromic Compounds.	ICCS (2)	2009	DBLP DOI BibTeX RDF	photochromism, electronic spectra, bond length alternation, molecular structure, density functional theory
34	Sara Stymne	German Compounds in Factored Statistical Machine Translation.	GoTAL	2008	DBLP DOI BibTeX RDF
34	Andrzej Dominik, Zbigniew Walczak, Jacek Wojciechowski	Classifying Chemical Compounds Using Contrast and Common Patterns.	ICANNGA (1)	2007	DBLP DOI BibTeX RDF
34	Karol Kozak, Marta Kozak, Katarzyna Stapor	Kernels for Chemical Compounds in Biological Screening.	ICANNGA (2)	2007	DBLP DOI BibTeX RDF
34	Mira Trebar, Uros Lotric	Predicting Mechanical Properties of Rubber Compounds with Neural Networks and Support Vector Machines.	ICANNGA (2)	2007	DBLP DOI BibTeX RDF
34	Michael G. Banks	An extension of the Hirsch index: Indexing scientific topics and compounds.	Scientometrics	2006	DBLP DOI BibTeX RDF
34	Manoj Khanal, Wolfgang Schubert, Jürgen Tomas	Crack Analysis in Single Plate Stressing of Particle Compounds.	International Conference on Computational Science	2004	DBLP DOI BibTeX RDF
34	Robert L. Grossman, Pavan Kasturi, Donald Hamelberg, Bing Liu 0001	Experimental Studies of the Universal Chemical Key (UCK)Algorithm on the NCI Database of Chemical Compounds.	CSB	2003	DBLP DOI BibTeX RDF
33	Alexander V. Gaiday, Igor A. Levandovskiy, Kendall G. Byler, Tatyana E. Shubina	Mechanism of Influenza A M2 Ion-Channel Inhibition: A Docking and QSAR Study.	ICCS (2)	2008	DBLP DOI BibTeX RDF	Influenza A, ion-channel inhibition, antiviral drugs, cage compounds, QSAR
33	Giuseppe Di Fatta, Michael R. Berthold	Dynamic Load Balancing for the Distributed Mining of Molecular Structures.	IEEE Trans. Parallel Distributed Syst.	2006	DBLP DOI BibTeX RDF	subgraph mining, biochemical databases, molecular compounds, Distributed computing, dynamic load balancing, frequent patterns, peer-to-peer computing
33	Z. W. Liao, S. X. Hu, W. F. Chen, Yuan Yan Tang, T. Z. Huang	A Statistical Image Fusion Scheme for Multi Focus Applications.	ICMLC	2005	DBLP DOI BibTeX RDF	nuclear magnetic resonance (NMR), chemical shift, coupling constant, carbon-13, aromatic compounds
31	Jufang Shan, Jie J. Zheng	Optimizing Dvl PDZ domain inhibitor by exploring chemical space.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Chemical space, PDZ domain inhibitors, Wnt signaling pathway, SAR, Virtual screening, NMR
31	Lishu Li, Jiawei Chen 0005, Qinghua Chen, Fukang Fang	A Novel Model for Recognition of Compounding Nouns in English and Chinese.	ISNN (3)	2009	DBLP DOI BibTeX RDF	Compounding nouns, Hopfield model, Neural network, Attractor
31	Florian Holz, Chris Biemann	Unsupervised and Knowledge-Free Learning of Compound Splits and Periphrases.	CICLing	2008	DBLP DOI BibTeX RDF
31	Shahab Sheikh-Bahaei, C. Anthony Hunt	Prediction of in vitro hepatic biliary excretion using stochastic agent-based modeling and fuzzy clustering.	WSC	2006	DBLP DOI BibTeX RDF
31	Weiguo Fan, Xin Lin, Yu-Wei Hsieh, Johnnie W. Baker, Boren Lin, Chun Che Tsai	Chemical Structure-Activity Relationship Visualization Using Structure Activity Maps.	CSB Workshops	2005	DBLP DOI BibTeX RDF
31	Sven Hartrumpf	Extending Knowledge and Deepening Linguistic Processing for the Question Answering System InSicht.	CLEF	2005	DBLP DOI BibTeX RDF
31	Eva Armengol, Enric Plaza	An Ontological Approach to Represent Molecular Structure Information.	ISBMDA	2005	DBLP DOI BibTeX RDF
31	Anne Schiller	German Compound Analysis with wfsc.	FSMNLP	2005	DBLP DOI BibTeX RDF
31	Cholwich Nattee, Sukree Sinthupinyo, Masayuki Numao, Takashi Okada	Learning first-order rules from data with multiple parts: applications on mining chemical compound data.	ICML	2004	DBLP DOI BibTeX RDF
31	Dexuan Xie, Suresh B. Singh, Eugene M. Fluder	Principal component analysis combined with truncated-Newton minimization for dimensionality reduction of chemical databases.	Math. Program.	2003	DBLP DOI BibTeX RDF
31	William G. Wee, Srinivas Krovvidy	A Knowledge Based Planning Approach for Waste Water Treatment System.	IEA/AIE (Vol. 2)	1990	DBLP DOI BibTeX RDF
26	Ahmad Aakash, Ramsha Kulsoom, Saba Khan, Musab Saeed Siddiqui, Deedar Nabi	Novel Models for Accurate Estimation of Air-Blood Partitioning: Applications to Individual Compounds and Complex Mixtures of Neutral Organic Compounds.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
26	Eleni Pitsillou, Julia Liang, Raymond C. Beh, Jacqueline Prestedge, Seda Catak, Andrew Hung, Tom C. Karagiannis	Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity.	Comput. Biol. Medicine	2022	DBLP DOI BibTeX RDF
26	Bhanu Sharma	Pharmacokinetic and molecular docking studies of natural plant compounds of Hibiscus sabdariffa to design antihypertensive compounds targeting AT2R.	Int. J. Comput. Biol. Drug Des.	2021	DBLP DOI BibTeX RDF
26	Bello Abdullahi Umar, Adamu Uzairu, Gideon Adamu Shallangwa, Uba Sani	QSAR modeling for the prediction of pGI50 activity of compounds on LOX IMVI cell line and ligand-based design of potent compounds using in silico virtual screening.	Netw. Model. Anal. Health Informatics Bioinform.	2019	DBLP DOI BibTeX RDF
26	Björn A. Grüning, Christian Senger, Anika Erxleben, Stephan Flemming, Stefan Günther	Compounds In Literature (CIL): screening for compounds and relatives in PubMed.	Bioinform.	2011	DBLP DOI BibTeX RDF
26	Norman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii, Kathleen A. Durkin	Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds.	J. Comput. Chem.	2003	DBLP DOI BibTeX RDF
26	Keisuke Araki, Masanori Kaji	A stereochemically accurate chemical substance database based on the systematic names of organic compounds. 1. Low molecular weight organic compounds.	J. Chem. Inf. Comput. Sci.	1991	DBLP DOI BibTeX RDF
26	Ronald C. Read	A new system for the designation of chemical compounds. 2. Coding of cyclic compounds.	J. Chem. Inf. Comput. Sci.	1985	DBLP DOI BibTeX RDF
26	Ronald C. Read	A new system for the designation of chemical compounds. 1. Theoretical preliminaries and the coding of acyclic compounds.	J. Chem. Inf. Comput. Sci.	1983	DBLP DOI BibTeX RDF
24	Jianlin Wu, T. Liu, Y. Lin, Z. W. Shen, Y. W. Miao, R. H. Wu, Z. J. Lang	Absolute Quantification of Swine Brain Glutamate Compounds Concentration using MR Spectroscopy and LCModel after Nasal Spraying Butorphanol Tartrate.	BMEI (2)	2008	DBLP DOI BibTeX RDF
24	Eva Armengol	Discovering Plausible Explanations of Carcinogenecity in Chemical Compounds.	MLDM	2007	DBLP DOI BibTeX RDF
24	Antonino Fiannaca, Giuseppe Di Fatta, Riccardo Rizzo, Alfonso Urso, Salvatore Gaglio	Fast Training of Self Organizing Maps for the Visual Exploration of Molecular Compounds.	IJCNN	2007	DBLP DOI BibTeX RDF
24	Raul Llinares, Jorge Igual	Identification of compounds in ice analogs with NMF algorithms.	IJCNN	2007	DBLP DOI BibTeX RDF
24	Giuseppe Di Fatta, Michael R. Berthold	High Performance Subgraph Mining in Molecular Compounds.	HPCC	2005	DBLP DOI BibTeX RDF
24	Zeki Erdem, Robi Polikar, Nejat Yumusak, Fikret S. Gürgen	Classification of Volatile Organic Compounds with Incremental SVMs and RBF Networks.	ISCIS	2005	DBLP DOI BibTeX RDF
24	Stefania Bandini, Sara Manzoni	Product Design as Product Revise: The Case of Chemical Compounds.	AI*IA	2001	DBLP DOI BibTeX RDF
23	Josefin Rosén, Anders Lövgren, Thierry Kogej, Sorel Muresan, Johan Gottfries, Anders Backlund	ChemGPS-NPWeb: chemical space navigation online.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	ChemGPS-NP, Natural products, Chemical space, Internet tool, Biologically active compounds, Drug discovery
23	Mohamed Attia, Mohsen A. Rashwan, Ahmed Ragheb, Mohamed Al-Badrashiny, Husein Al-Basoumy, Sherif M. Abdou	A Compact Arabic Lexical Semantics Language Resource Based on the Theory of Semantic Fields.	GoTAL	2008	DBLP DOI BibTeX RDF	AWN, language factorization, language resource, lexical compounds, LR, morpho-PoS constraining, semantic fields, word net, text mining, coverage, morphology, Arabic, semantic relations, semantic mapping, lexical semantics, PoS tagging, word senses
23	Kurt De Grave, Jan Ramon, Luc De Raedt	Active Learning for High Throughput Screening.	Discovery Science	2008	DBLP DOI BibTeX RDF	Chemical compounds, Optimization, Active Learning, QSAR
23	Phil Maguire, Arthur W. S. Cater, Rebecca Maguire	The role of experience in the interpretation of noun-noun combinations.	Artif. Intell. Rev.	2006	DBLP DOI BibTeX RDF	Conceptual combination, Noun-noun compounds, CARIN theory, Relation frequency
23	Robert J. Sandusky	Infrastructure management as cooperative work: implications for systems design.	GROUP	1997	DBLP DOI BibTeX RDF	distributed supervisory control, information compounds, real-time supervisory control, CSCW, communities of practice, boundary objects
21	Md. Afroz Alam, Pradeep Kumar Naik	Molecular modelling evaluation of the cytotoxic activity of podophyllotoxin analogues.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	Podophyllotoxin, Prime/MM-GBSA, Virtual screening, Molecular docking
21	Kazuya Nakao, Masaaki Fujikawa, Ryo Shimizu, Miki Akamatsu	QSAR application for the prediction of compound permeability with in silico descriptors in practical use.	J. Comput. Aided Mol. Des.	2009	DBLP DOI BibTeX RDF	PAMPA, Log P, pK a, PSA, Caco-2, QSAR
21	Jiao Li 0001, Pamela Crowell, Jake Yue Chen	Construct anticancer drug-drug correlation network.	SAC	2009	DBLP DOI BibTeX RDF	DDC (drug-drug correlation), PDA (protein-drug association), PPI (protein-protein interaction), biomedical literature mining, pancreatic cancer, breast cancer
21	Abdul Majid, Yeon Soo Lee	Predicting lattice constant of cubic perovskites using support vector regression.	ICIS	2009	DBLP DOI BibTeX RDF	cubic perovskites, lattice constant prediction, support vector regression, linear regression
21	Takamichi Nakamoto, Keisuke Murakami	Selection Method of Odor Components for Olfactory Display Using Mass Spectrum Database.	VR	2009	DBLP DOI BibTeX RDF
21	Nikil Wale, Ian A. Watson, George Karypis	Comparison of descriptor spaces for chemical compound retrieval and classification.	Knowl. Inf. Syst.	2008	DBLP DOI BibTeX RDF	Retreival, Descriptor space, Classification, SVM, Kernel
21	Hitoshi Yamasaki, Takayoshi Shoudai	Mining of Frequent Externally Extensible Outerplanar Graph Patterns.	ICMLA	2008	DBLP DOI BibTeX RDF
21	Walid S. Saba	Concerning Olga, the Beautiful Little Street Dancer: Adjectives as Higher-Order Polymorphic Functions.	KI	2008	DBLP DOI BibTeX RDF
21	Li Yan, Sunwoo Park, Shahab Sheikh-Bahaei, Glen E. P. Ropella, C. Anthony Hunt	Predicting hepatic disposition properties of cationic drugs using a physiologically based, agent-oriented In Silico Liver.	SpringSim	2008	DBLP DOI BibTeX RDF	drug disposition, hepatic, mechanistic, physiologically-based, prediction, systems biology, agent oriented
21	Thomas Gschwind, Jana Koehler, Janette Wong	Applying Patterns during Business Process Modeling.	BPM	2008	DBLP DOI BibTeX RDF
21	Karol Kozak, Katarzyna Stapor	Classes of Kernels for Hit Definition in Compound Screening.	ICAISC	2008	DBLP DOI BibTeX RDF
21	Vitoantonio Bevilacqua, Paolo Pannarale, Giuseppe Mastronardi, Amalia Azzariti, Stefania Tommasi, Filippo Menolascina, Francesco Iorio, Diego di Bernardo, Angelo Paradiso, Nicola A. Colabufo, Francesco Berardi, Roberto Perrone, Roberto Tagliaferri	High-Throughput Analysis of the Drug Mode of Action of PB28, MC18 and MC70, Three Cyclohexylpiperazine Derivative New Molecules.	ICIC (2)	2008	DBLP DOI BibTeX RDF
21	Hitoshi Yamasaki, Yosuke Sasaki, Takayoshi Shoudai, Tomoyuki Uchida, Yusuke Suzuki	Learning Block-Preserving Outerplanar Graph Patterns and Its Application to Data Mining.	ILP	2008	DBLP DOI BibTeX RDF	graph structured pattern, graph mining, pattern discovery, inductive inference, outerplanar graph
21	Irene Luque Ruiz, Miguel Ángel Gómez-Nieto	A Tool for the Calculation of Molecular Descriptors in the Development of QSAR Models.	ICCSA (1)	2008	DBLP DOI BibTeX RDF	Molecular descriptors, Java, QSAR, Computational Chemistry
21	Omix Yu-Chian Chen, Guan-Wen Chen, Winston Yu-Chen Chen	A novel strategy for the structure-based drug design of heat shock protein 90 inhibitors.	IJCNN	2008	DBLP DOI BibTeX RDF
21	Marshall J. Levesque, Kohei Ichikawa, Susumu Date, Jason H. Haga	Bringing flexibility to virtual screening for enzymatic inhibitors on the grid.	GRID	2008	DBLP DOI BibTeX RDF
21	Bing Lv, Jianyong Wang 0001, Lizhu Zhou	High Confidence Fragment-Based Classification Rule Mining for Imbalanced HIV Data.	APWeb	2008	DBLP DOI BibTeX RDF
21	Stefania Bandini, Alessandro Mosca 0001, Matteo Palmonari	Model-Based Chemical Compound Formulation.	Model-Based Reasoning in Science, Technology, and Medicine	2007	DBLP DOI BibTeX RDF
21	F. A. Pasha, Muhammad Muddassar, So Ha Lee, Taebo Sim, Jung-Mi Hah, Seung Joo Cho	In silico Ligand-Based (LB) and Docking-Based (DB) 3D-QSAR Study of Potent Chk2 Inhibitors.	FBIT	2007	DBLP DOI BibTeX RDF
21	Francesc J. Ferri, Wladimiro Díaz Villanueva, Maria J. Castro	A comparative study using different topological representations in pattern recognition based drug activity characterization.	SMC	2007	DBLP DOI BibTeX RDF
21	Yubin Ji, Ran Tian, Wenhan Lin	QSAR and Molecular Docking Study of a Series of Combretastatin Analogues Tubulin Inhibitors.	LSMS (2)	2007	DBLP DOI BibTeX RDF
21	Nikil Wale, George Karypis	Comparison of Descriptor Spaces for Chemical Compound Retrieval and Classification.	ICDM	2006	DBLP DOI BibTeX RDF
21	Maja Popovic, Daniel Stein, Hermann Ney	Statistical Machine Translation of German Compound Words.	FinTAL	2006	DBLP DOI BibTeX RDF
21	Razvan Andonie, Levente Fabry-Asztalos, Sarah Abdul-Wahid, Catharine Collar, Nicholas Salim	An Integrated Soft Computing Approach for Predicting Biological Activity of Potential HIV-1 Protease Inhibitors.	IJCNN	2006	DBLP DOI BibTeX RDF
21	Walter Cedeñto, Dimitris K. Agraflotis	Particle swarms for drug design.	Congress on Evolutionary Computation	2005	DBLP DOI BibTeX RDF