Search results for "mutagenicity"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
103	Huanhuan Chen, Xin Yao 0001	Evolutionary Ensemble for In Silico Prediction of Ames Test Mutagenicity.	ICIC (2)	2007	DBLP DOI BibTeX RDF	Ames Test Mutagenicity, In silico models, Evolutionary Ensemble, Negative Correlation Learning
92	Takashi Washio, Koutarou Nakanishi, Hiroshi Motoda, Takashi Okada	Mutagenicity Risk Analysis by Using Class Association Rules.	JSAI Workshops	2005	DBLP DOI BibTeX RDF
54	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
49	Tamás Horváth 0001, Stefan Wrobel	Towards Discovery of Deep and Wide First-Order Structures: A Case Study in the Domain of Mutagenicity.	Discovery Science	2001	DBLP DOI BibTeX RDF
43	Premysl Zak, Pavel Spacil, Jaroslava Halova	Meta-analysis of Mutagenes Discovery.	Discovery Science	2001	DBLP DOI BibTeX RDF
43	Hiroshi H. Hasegawa, Takashi Washio, Yukari Ishimiya	"Thermodynamics" from Time Series Data Analysis.	Discovery Science	1999	DBLP DOI BibTeX RDF
43	Stephen H. Muggleton, Ashwin Srinivasan 0001, Ross D. King, Michael J. E. Sternberg	Biochemical Knowledge Discovery Using Inductive Logic Programming.	Discovery Science	1998	DBLP DOI BibTeX RDF
27	Chaofeng Lou, Hongbin Yang, Hua Deng, Mengting Huang, Weihua Li 0005, Guixia Liu, Philip W. Lee, Yun Tang 0001	Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods.	J. Cheminformatics	2023	DBLP DOI BibTeX RDF
27	María Jimena Martínez, María Virginia Sabando, Axel J. Soto, Carlos Roca, Carlos Requena-Triguero, Nuria E. Campillo, Juan A. Páez, Ignacio Ponzoni	Multitask Deep Neural Networks for Ames Mutagenicity Prediction.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
27	Piers A. Townsend, Matthew N. Grayson	Density Functional Theory Transition-State Modeling for the Prediction of Ames Mutagenicity in 1, 4 Michael Acceptors.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
27	Lara Kuhnke, Antonius ter Laak, Andreas H. Göller	Mechanistic Reactivity Descriptors for the Prediction of Ames Mutagenicity of Primary Aromatic Amines.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
27	Jin Zhang, Daniel Mucs, Ulf Norinder, Fredrik Svensson	LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
27	Timothy E. H. Allen, Matthew N. Grayson, Jonathan M. Goodman, Steve Gutsell, Paul J. Russell	Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
27	Andrew J. Schaumberg, Angela Yu, Tatsuhiro Koshi, Xiaochan Zong, Santoshkalyan Rayadhurgam	Predicting Drug Interactions and Mutagenicity with Ensemble Classifiers on Subgraphs of Molecules.	CoRR	2016	DBLP BibTeX RDF
27	Jean-Philippe Métivier, Alban Lepailleur, Aleksey Buzmakov 0002, Guillaume Poezevara, Bruno Crémilleux, Sergei O. Kuznetsov, Jérémie Le Goff, Amedeo Napoli, Ronan Bureau, Bertrand Cuissart	Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns.	J. Chem. Inf. Model.	2015	DBLP DOI BibTeX RDF
27	Ruifeng Liu, Anders Wallqvist	Merging Applicability Domains for in Silico Assessment of Chemical Mutagenicity.	J. Chem. Inf. Model.	2014	DBLP DOI BibTeX RDF
27	Samuel J. Webb, Thierry Hanser, Brendan J. Howlin, Paul Krause, Jonathan D. Vessey	Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity.	J. Cheminformatics	2014	DBLP DOI BibTeX RDF
27	Mostafa A. Salama, Mohamed Mostafa M. Fouad, Nashwa El-Bendary, Aboul Ella Otifey Hassanien	Mutagenicity Analysis Based on Rough Set Theory and Formal Concept Analysis.	ISI	2013	DBLP DOI BibTeX RDF
27	Mostafa A. Salama, Aboul Ella Hassanien, Adel M. Alimi	Formal concept analysis approach for comparison between Mutagenicity and Carcinogenicity in Cheminformatics.	HIS	2013	DBLP DOI BibTeX RDF
27	Sandeep Modi, Jin Li, Sophie Malcomber, Claire Moore, Andrew D. Scott, Andrew White, Paul L. Carmichael	Integrated in silico approaches for the prediction of Ames test mutagenicity.	J. Comput. Aided Mol. Des.	2012	DBLP DOI BibTeX RDF
27	Congying Xu, Feixiong Cheng, Lei Chen 0019, Zheng Du, Weihua Li 0005, Guixia Liu, Philip W. Lee, Yun Tang 0001	In silico Prediction of Chemical Ames Mutagenicity.	J. Chem. Inf. Model.	2012	DBLP DOI BibTeX RDF
27	Abhik Seal, Anurag Passi, U. C. Abdul Jaleel, David J. Wild 0001, et al.	In-silico Predictive Mutagenicity Model Generation Using Supervised Learning Approaches.	J. Cheminformatics	2012	DBLP DOI BibTeX RDF
27	Mosé Casalegno, Emilio Benfenati, Guido Sello	Identification of Toxifying and Detoxifying Moieties for Mutagenicity Prediction by Priority Assessment.	J. Chem. Inf. Model.	2011	DBLP DOI BibTeX RDF
27	Patrick McCarren, Clayton Springer, Lewis Whitehead	An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential.	J. Cheminformatics	2011	DBLP DOI BibTeX RDF
27	Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko	Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.	J. Chem. Inf. Model.	2010	DBLP DOI BibTeX RDF
27	Roustem D. Saiakhov, Gilles Klopman	Benchmark Performance of MultiCASE Inc. Software in Ames Mutagenicity Set.	J. Chem. Inf. Model.	2010	DBLP DOI BibTeX RDF
27	Lars Carlsson, Ernst Ahlberg Helgee, Scott Boyer	Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data.	J. Chem. Inf. Model.	2009	DBLP DOI BibTeX RDF
27	Katja Hansen, Sebastian Mika, Timon Schroeter, Andreas Sutter, Antonius ter Laak, Thomas Steger-Hartmann, Nikolaus Heinrich, Klaus-Robert Müller	Benchmark Data Set for in Silico Prediction of Ames Mutagenicity.	J. Chem. Inf. Model.	2009	DBLP DOI BibTeX RDF
27	Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer	A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data.	J. Chem. Inf. Model.	2009	DBLP DOI BibTeX RDF
27	Yong Wang, Frederick C. C. Leung	Comparative Genomic Study Reveals a Transition from TA Richness in Invertebrates to GC Richness in Vertebrates at CpG Flanking Sites: An Indication for Context-Dependent Mutagenicity of Methylated CpG Sites.	Genom. Proteom. Bioinform.	2008	DBLP DOI BibTeX RDF
27	James J. Langham, Ajay N. Jain	Accurate and Interpretable Computational Modeling of Chemical Mutagenicity.	J. Chem. Inf. Model.	2008	DBLP DOI BibTeX RDF
27	Qing-You Zhang, João Aires-de-Sousa	Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
27	Paolo Mazzatorta, Liên-Anh Tran, Benoît Schilter, Martin G. Grigorov	Integration of Structure-Activity Relationship and Artificial Intelligence Systems To Improve in Silico Prediction of Ames Test Mutagenicity.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
27	Sanjay Joshua Swamidass, Jonathan H. Chen, Jocelyne Bruand, Peter Phung, Liva Ralaivola, Pierre Baldi	Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.	ISMB (Supplement of Bioinformatics)	2005	DBLP DOI BibTeX RDF
27	Marjan Vracko, Andrezej Szymoszek, Pierluigi Barbieri	Structure-Mutagenicity Study of 12 Trimethylimidazopyridine Isomers Using Orbital Energies and "Spectrum-like Representation" As Descriptors.	J. Chem. Inf. Model.	2004	DBLP DOI BibTeX RDF
27	Christoph Helma, Tobias Cramer, Stefan Kramer 0001, Luc De Raedt	Data Mining and Machine Learning Techniques for the Identification of Mutagenicity Inducing Substructures and Structure Activity Relationships of Noncongeneric Compounds.	J. Chem. Inf. Model.	2004	DBLP DOI BibTeX RDF
27	Uko Maran, Sulev Sild	QSAR Modeling of Mutagenicity on Non-Congeneric Sets of Organic Compounds.	Artificial Intelligence Methods And Tools For Systems Biology	2004	DBLP DOI BibTeX RDF
27	Patricia A. Bacha, Heather S. Gruver, Bobi K. Den Hartog, Susan Y. Tamura, Ruth F. Nutt	Rule Extraction from a Mutagenicity Data Set Using Adaptively Grown Phylogenetic-like Trees.	J. Chem. Inf. Comput. Sci.	2002	DBLP DOI BibTeX RDF
27	Subhash C. Basak, Denise R. Mills, Alexandru T. Balaban, Brian D. Gute	Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: A Hierarchical QSAR Approach.	J. Chem. Inf. Comput. Sci.	2001	DBLP DOI BibTeX RDF
27	Divi Venkateswarlu, Jerzy Leszczynski	Tautomeric equilibria in 8-oxopurines: Implications for mutagenicity.	J. Comput. Aided Mol. Des.	1998	DBLP DOI BibTeX RDF
27	Ashwin Srinivasan 0001, Stephen H. Muggleton, Michael J. E. Sternberg, Ross D. King	Theories for Mutagenicity: A Study in First-Order and Feature-Based Induction.	Artif. Intell.	1996	DBLP DOI BibTeX RDF
27	Jiuping Ji, Jean-Sebastien Hoffmann, Lawrence Loeb	Mutagenicity and pausing of HIV reverse transcriptase during HIV plus- strand DNA synthesis.	Nucleic Acids Res.	1994	DBLP DOI BibTeX RDF
27	John F. Tinker	Relating mutagenicity to chemical structure.	J. Chem. Inf. Comput. Sci.	1981	DBLP DOI BibTeX RDF
21	Huma Lodhi, Stephen H. Muggleton, Michael J. E. Sternberg	Learning Large Margin First Order Decision Lists for Multi-Class Classification.	Discovery Science	2009	DBLP DOI BibTeX RDF
21	Filip Zelezný, Ashwin Srinivasan 0001, C. David Page Jr.	Randomised restarted search in ILP.	Mach. Learn.	2006	DBLP DOI BibTeX RDF	Monte carlo study, Inductive logic programming, Randomized search
21	Filip Zelezný, Nada Lavrac	Propositionalization-based relational subgroup discovery with RSD.	Mach. Learn.	2006	DBLP DOI BibTeX RDF	Feature construction, Subgroup discovery, Relational data mining, Propositionalization
21	Tamás Horváth 0001, Susanne Hoche, Stefan Wrobel	Effective rule induction from labeled graphs.	SAC	2006	DBLP DOI BibTeX RDF	graph mining, computational chemistry
21	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
21	Cholwich Nattee, Sukree Sinthupinyo, Masayuki Numao, Takashi Okada	Mining Chemical Compound Structure Data Using Inductive Logic Programming.	Active Mining	2003	DBLP DOI BibTeX RDF