Literature DB >> 16180989

Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52.

Tatiana I Netzeva1, Andrew Worth, Tom Aldenberg, Romualdo Benigni, Mark T D Cronin, Paolo Gramatica, Joanna S Jaworska, Scott Kahn, Gilles Klopman, Carol A Marchant, Glenn Myatt, Nina Nikolova-Jeliazkova, Grace Y Patlewicz, Roger Perkins, David Roberts, Terry Schultz, David W Stanton, Johannes J M van de Sandt, Weida Tong, Gilman Veith, Chihae Yang.   

Abstract

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Year:  2005        PMID： 16180989     DOI： 10.1177/026119290503300209

Source DB:  PubMed          Journal:  Altern Lab Anim        ISSN： 0261-1929            Impact factor:   1.303


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  92 in total

1.  Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network.

Authors:  Natalja Fjodorova; Marjana Novič; Alessandra Roncaglioni; Emilio Benfenati
Journal:  J Comput Aided Mol Des       Date:  2011-12-03       Impact factor: 3.686

2.  Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database.

Authors:  Huong Le-Thi-Thu; Gerardo M Casañola-Martín; Yovani Marrero-Ponce; Antonio Rescigno; Luciano Saso; Virinder S Parmar; Francisco Torrens; Concepción Abad
Journal:  Mol Divers       Date:  2010-09-03       Impact factor: 2.943

3.  Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids.

Authors:  Anna Rybinska; Anita Sosnowska; Maciej Barycki; Tomasz Puzyn
Journal:  J Comput Aided Mol Des       Date:  2016-02-01       Impact factor: 3.686

4.  Computational predictive models for P-glycoprotein inhibition of in-house chalcone derivatives and drug-bank compounds.

Authors:  Trieu-Du Ngo; Thanh-Dao Tran; Minh-Tri Le; Khac-Minh Thai
Journal:  Mol Divers       Date:  2016-07-18       Impact factor: 2.943

5.  Validation strategies for target prediction methods.

Authors:  Neann Mathai; Ya Chen; Johannes Kirchmair
Journal:  Brief Bioinform       Date:  2020-05-21       Impact factor: 11.622

6.  Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays.

Authors:  Rajarshi Guha; Stephan C Schürer
Journal:  J Comput Aided Mol Des       Date:  2008-02-19       Impact factor: 3.686

7.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

8.  Bond dissociation enthalpies calculated by the PM3 method confirm activity cliffs in radical scavenging of flavonoids.

Authors:  Dragan Amić; Bono Lucić; Goran Kovacević; Nenad Trinajstić
Journal:  Mol Divers       Date:  2008-11-04       Impact factor: 2.943

9.  Does applicability domain exist in microarray-based genomic research?

Authors:  Li Shao; Leihong Wu; Hong Fang; Weida Tong; Xiaohui Fan
Journal:  PLoS One       Date:  2010-06-10       Impact factor: 3.240

10.  Estimation of the applicability domain of kernel-based machine learning models for virtual screening.

Authors:  Nikolas Fechner; Andreas Jahn; Georg Hinselmann; Andreas Zell
Journal:  J Cheminform       Date:  2010-03-11       Impact factor: 5.514
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