@article{Nicolotti:2002:JMC, title = {Multiobjective Optimization in Quantitative Structure-Activity Relationships: Deriving Accurate and Interpretable {QSAR}s}, author = {Orazio Nicolotti and Valerie J. Gillet and Peter J. Fleming and Darren V. S. Green}, journal = {Journal of Medicinal Chemistry}, month = {November 7}, number = {23}, pages = {5069--5080}, url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jm020919o}, volume = {45}, year = {2002}, biburl = {http://www.bibsonomy.org/bibtex/2214487c3e584647b9d9fb8ce2e2b337b/brazovayeye}, abstract = {Deriving quantitative structure-activity relationship (QSAR) models that are accurate, reliable, and easily interpretable is a difficult task. In this study, two new methods have been developed that aim to find useful QSAR models that represent an appropriate balance between model accuracy and complexity. Both methods are based on genetic programming (GP). The first method, referred to as genetic QSAR (or GPQSAR), uses a penalty function to control model complexity. GPQSAR is designed to derive a single linear model that represents an appropriate balance between the variance and the number of descriptors selected for the model. The second method, referred to as multiobjective genetic QSAR (MoQSAR), is based on multiobjective GP and represents a new way of thinking of QSAR. Specifically, QSAR is considered as a multiobjective optimization problem that comprises a number of competitive objectives. Typical objectives include model fitting, the total number of terms, and the occurrence of nonlinear terms. MoQSAR results in a family of equivalent QSAR models where each QSAR represents a different tradeoff in the objectives. A practical consideration often overlooked in QSAR studies is the need for the model to promote an understanding of the biochemical response under investigation. To accomplish this, chemically intuitive descriptors are needed but do not always give rise to statistically robust models. This problem is addressed by the addition of a further objective, called chemical desirability, that aims to reward models that consist of descriptors that are easily interpretable by chemists. GPQSAR and MoQSAR have been tested on various data sets including the Selwood data set and two different solubility data sets. The study demonstrates that the MoQSAR method is able to find models that are at least as good as models derived using standard statistical approaches and also yields models that allow a medicinal chemist to trade statistical robustness for chemical interpretability.}, issn = {0022-2623}, notes = {http://pubs.acs.org/journals/jmcmar/index.html PMID: 12408718}, doi = {doi:10.1021/jm020919o}, keywords = {(AIC) Akaike Criterion GSK, Information MOGA, MOGP, QSAR, algorithms, cheminformatics, genetic programming, } } @article{citeulike:1704454, title = {Data mining of search engine logs}, address = {Department of Information Studies, University of Sheffield, UK}, author = {Martin Whittle and Barry Eaglestone and Nigel Ford and Valerie J. Gillet and Andrew Madden}, journal = {Journal of the American Society for Information Science and Technology}, number = {9999}, pages = {NA+}, url = {http://dx.doi.org/10.1002/asi.20733}, volume = {9999}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/22498b2d6fd1e85bda16138915a7337e6/pprett}, abstract = {This article reports on the development of a novel method for the analysis of Web logs. The method uses techniques that look for similarities between queries and identify sequences of ?query transformation?. It allows sequences of query transformations to be represented as graphical networks, thereby giving a richer view of search behavior than is possible with the usual sequential descriptions. We also perform a basic analysis to study the correlations between observed transformation codes, with results that appear to show evidence of behavior habits. The method was developed using transaction logs from the Excite search engine to provide a tool for an ongoing research project that is endeavoring to develop a greater understanding of Web-based searching by the general public.}, posted-at = {2007-12-06 17:45:49}, citeulike-article-id = {1704454}, priority = {4}, doi = {10.1002/asi.20733}, keywords = {log, mining, query, transformation } } @inproceedings{conf/ectel/Cao07, title = {Mobile Social Software with Context Awareness and Data Uncertainty for Technology-Enhanced Learning.}, author = {Yiwei Cao}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Cao07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/2a8b56f2882df56f84eeccc308e0ee070/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p03.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/Lehmann07, title = {Lifecycle Information Management for Learning Resources and Knowledge Documents.}, author = {Lasse Lehmann}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Lehmann07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/2ad73b05b651dd52303f84285c1a301ee/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p05.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/Valentin07, title = {Integration in Generic Tool Learning Design to Support Complex Learning Methodologies.}, author = {Luis de la Fuente Valentín}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Valentin07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/2135aa6eb914a77ceeb770c965d3453d4/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p04.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/Leyking07, title = {Service-oriented Knowledge Architectures - Integrating Learning and Business Information Systems.}, author = {Katrina Leyking}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Leyking07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/23483028d91b510dbccb39a4e0f01499b/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p06.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/Tzikopoulos07, title = {Knowledge Repositories for Rural Communities of Learning.}, author = {Argiris Tzikopoulos}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Tzikopoulos07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/2afa243cd6ecbce04e0da3a837b144a29/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p09.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/MailletKGK07, title = {Foreword.}, author = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#MailletKGK07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/24f3b91673acd8c61212548244d37893f/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p01.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/Bizonova07, title = {Model Driven E-Learning Platform Integration.}, author = {Zuzana Bizonova}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Bizonova07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/2185908e65ecc7445e63e2c9248eed291/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p02.pdf}, keywords = {dblp } } @inproceedings{conf/ectel/Repetto07, title = {A Methodological Proposal to Analyse Interactions in Online Collaborative Learning Environments.}, author = {Manuela Repetto}, booktitle = {EC-TEL PROLEARN}, crossref = {conf/ectel/2007prolearn}, editor = {Katherine Maillet and Tomaz Klobucar and Denis Gillet and Ralf Klamma}, publisher = {CEUR-WS.org}, series = {CEUR Workshop Proceedings}, url = {http://dblp.uni-trier.de/db/conf/ectel/prolearn2007.html#Repetto07}, volume = {288}, year = {2007}, biburl = {http://www.bibsonomy.org/bibtex/20502cf372e48e538e063ac619416095b/dblp}, description = {dblp}, date = {2008-06-02}, ee = {http://ceur-ws.org/Vol-288/p07.pdf}, keywords = {dblp } }