These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
4. Combinatorial QSAR modeling of P-glycoprotein substrates. de Cerqueira Lima P; Golbraikh A; Oloff S; Xiao Y; Tropsha A J Chem Inf Model; 2006; 46(3):1245-54. PubMed ID: 16711744 [TBL] [Abstract][Full Text] [Related]
5. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps. Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304 [TBL] [Abstract][Full Text] [Related]
6. QSAR in ecotoxicity: an overview of modern classification techniques. Mazzatorta P; Benfenati E; Lorenzini P; Vighi M J Chem Inf Comput Sci; 2004; 44(1):105-12. PubMed ID: 14741016 [TBL] [Abstract][Full Text] [Related]
7. Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds. Prado-Prado FJ; González-Díaz H; de la Vega OM; Ubeira FM; Chou KC Bioorg Med Chem; 2008 Jun; 16(11):5871-80. PubMed ID: 18485714 [TBL] [Abstract][Full Text] [Related]
8. Fingerprint-based clustering applied to define a QSAR model use radius. Sprous DG J Mol Graph Model; 2008 Sep; 27(2):225-32. PubMed ID: 18556228 [TBL] [Abstract][Full Text] [Related]
9. Local lazy regression: making use of the neighborhood to improve QSAR predictions. Guha R; Dutta D; Jurs PC; Chen T J Chem Inf Model; 2006; 46(4):1836-47. PubMed ID: 16859315 [TBL] [Abstract][Full Text] [Related]
11. Boosting support vector regression in QSAR studies of bioactivities of chemical compounds. Zhou YP; Jiang JH; Lin WQ; Zou HY; Wu HL; Shen GL; Yu RQ Eur J Pharm Sci; 2006 Jul; 28(4):344-53. PubMed ID: 16697155 [TBL] [Abstract][Full Text] [Related]
12. Statistical external validation and consensus modeling: a QSPR case study for Koc prediction. Gramatica P; Giani E; Papa E J Mol Graph Model; 2007 Mar; 25(6):755-66. PubMed ID: 16890002 [TBL] [Abstract][Full Text] [Related]
13. Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis. Zhu H; Tropsha A; Fourches D; Varnek A; Papa E; Gramatica P; Oberg T; Dao P; Cherkasov A; Tetko IV J Chem Inf Model; 2008 Apr; 48(4):766-84. PubMed ID: 18311912 [TBL] [Abstract][Full Text] [Related]
14. Assessing the reliability of a QSAR model's predictions. He L; Jurs PC J Mol Graph Model; 2005 Jun; 23(6):503-23. PubMed ID: 15896992 [TBL] [Abstract][Full Text] [Related]
15. QSAR modeling of anti-invasive activity of organic compounds using structural descriptors. Katritzky AR; Kuanar M; Dobchev DA; Vanhoecke BW; Karelson M; Parmar VS; Stevens CV; Bracke ME Bioorg Med Chem; 2006 Oct; 14(20):6933-9. PubMed ID: 16908166 [TBL] [Abstract][Full Text] [Related]