%0 Journal Article %1 walczak:2010 %A Walczak, Beata %A Daszykowski, MichaŁ %A Stanimirova, Ivana %D 2010 %J Recent Advances in QSAR Studies %K algorithms programming robust %P 177--208 %T Robust Methods in Qsar %U http://dx.doi.org/10.1007/978-1-4020-9783-6_6 %X A large progress in the development of robust methods as an efficient tool for processing of data contaminated with outlying objects has been made over the last years. Outliers in the QSAR studies are usually the result of an improper calculationof some molecular descriptors and/or experimental error in determining the property to be modelled. They influence greatlyany least square model, and therefore the conclusions about the biological activity of a potential component based on sucha model are misleading. With the use of robust approaches, one can solve this problem building a robust model describing thedata majority well. On the other hand, the proper identification of outliers may pinpoint a new direction of a drug development.The outliers’ assessment can exclusively be done with robust methods and these methods are to be described in this chapter

@article{walczak:2010, abstract = {A large progress in the development of robust methods as an efficient tool for processing of data contaminated with outlying objects has been made over the last years. Outliers in the QSAR studies are usually the result of an improper calculationof some molecular descriptors and/or experimental error in determining the property to be modelled. They influence greatlyany least square model, and therefore the conclusions about the biological activity of a potential component based on sucha model are misleading. With the use of robust approaches, one can solve this problem building a robust model describing thedata majority well. On the other hand, the proper identification of outliers may pinpoint a new direction of a drug development.The outliers’ assessment can exclusively be done with robust methods and these methods are to be described in this chapter}, added-at = {2010-03-01T15:04:35.000+0100}, author = {Walczak, Beata and Daszykowski, MichaŁ and Stanimirova, Ivana}, biburl = {https://www.bibsonomy.org/bibtex/2b606b000fcc05c898fb7fa983e5084cd/vivion}, description = {SpringerLink - Book Chapter}, interhash = {0509946f3b13c07792fea03a7090f01b}, intrahash = {b606b000fcc05c898fb7fa983e5084cd}, journal = {Recent Advances in QSAR Studies}, keywords = {algorithms programming robust}, pages = {177--208}, timestamp = {2010-03-01T15:04:35.000+0100}, title = {Robust Methods in Qsar}, url = {http://dx.doi.org/10.1007/978-1-4020-9783-6_6}, year = 2010 }