Atom based linear index descriptors in QSAR-machine learning classifiers for the prediction of ubiquitin-proteasome pathway activity

Baldi P(2000)Assessing the accuracy of prediction algorithms for classification: an overview Bioinformatics 16 412-424

Brunak S(2007)TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices Bioorg Med Chem 15 1483-1503

Chauvin Y(2008)Atom-based non-stochastic and stochastic bilinear indices: application to QSPR/QSAR studies of organic compounds Chem Phys Lett 464 107-112

Andersen CA(2010)Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis Eur J Pharm Sci 39 30-36

Nielsen H(2010)Building on bortezomib: second-generation proteasome inhibitors as anti-cancer therapy Drug Discov Today 15 243-249

Casanola-Martin GM(2001)Optimization of a mathematical topological pattern for the prediction of antihistaminic activity J Comput Aided Mol Des 15 561-572

Marrero-Ponce Y(2012)Early phase drug discovery: cheminformatics and computational techniques in identifying lead series Bioorg Med Chem 20 5324-5342

Khan MT(2000)A novel approach for the virtual screening and rational design of anticancer compounds J Med Chem 43 1975-1985

Ather A(2013)Modeling anti-allergic natural compounds by molecular topology Comb Chem High Throughput Screen 16 628-635

Sultan S(2002)Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection Mol Divers 5 231-243

Baldi P(2000)Assessing the accuracy of prediction algorithms for classification: an overview Bioinformatics 16 412-424

Brunak S(2007)TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices Bioorg Med Chem 15 1483-1503

Chauvin Y(2008)Atom-based non-stochastic and stochastic bilinear indices: application to QSPR/QSAR studies of organic compounds Chem Phys Lett 464 107-112

Andersen CA(2010)Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis Eur J Pharm Sci 39 30-36

Nielsen H(2010)Building on bortezomib: second-generation proteasome inhibitors as anti-cancer therapy Drug Discov Today 15 243-249

Casanola-Martin GM(2001)Optimization of a mathematical topological pattern for the prediction of antihistaminic activity J Comput Aided Mol Des 15 561-572

Marrero-Ponce Y(2012)Early phase drug discovery: cheminformatics and computational techniques in identifying lead series Bioorg Med Chem 20 5324-5342

Khan MT(2000)A novel approach for the virtual screening and rational design of anticancer compounds J Med Chem 43 1975-1985

Ather A(2013)Modeling anti-allergic natural compounds by molecular topology Comb Chem High Throughput Screen 16 628-635

Sultan S(2002)Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection Mol Divers 5 231-243