Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets
- Author
- TODESCHINI, Roberto1 ; CONSONNI, Viviana1 ; HUA XIANG2 ; HOLLIDAY, John2 ; BUSCEMA, Massimo3 4 ; WILLETT, Peter2
[1] Milano Chemometrics and QSAR Research Group, Department of Environmental Sciences, University of Milano-Bicocca, Piazza della Scienza 1, 20126, Milano, Italy
[2] Information School, University of Sheffield, Sheffield S1 4DP, United Kingdom
[3] SEMEION, via Sersale 117,00128, Roma, Italy
[4] Department of Mathematical and Statistical Sciences, University of Colorado, 1250 14th Street, 80217-3364 Denver, CO, United States - Source
Journal of chemical information and modeling. 2012, Vol 52, Num 11, pp 2884-2901, 18 p ; ref : 74 ref
- ISSN
- 1549-9596
- Scientific domain
- Chemistry; Computer science
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Analyse corrélation Analyse n dimensionnelle Analyse statistique Approche probabiliste Chimie informatique Criblage virtuel Diagramme Hasse Diffusion Donnée binaire Echelonnement multidimensionnel Efficacité Empreinte digitale Modélisation Raisonnement basé sur cas
- Keyword (en)
- Correlation analysis Multidimensional analysis Statistical analysis Probabilistic approach Computational chemistry Virtual screening Hasse diagram Diffusion Binary data Multidimensional scaling Efficiency Fingerprint Modeling Case based reasoning
- Keyword (es)
- Análisis correlación Análisis n dimensional Análisis estadístico Enfoque probabilista Química informática Cribado virtual Diagrama Hasse Difusión Dato binario Escala multidimensional Eficacia Huella digital Modelización Razonamiento fundado sobre caso
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A01 General. Nomenclature, chemical documentation, computer chemistry
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02B Software / 001D02B07 Memory organisation. Data processing / 001D02B07B Data processing. List processing. Character string processing
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02A General pharmacology / 002B02A03 Pharmaceutical technology. Pharmaceutical industry
- Discipline
- Computer science : theoretical automation and systems General chemistry and physical chemistry General pharmacology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 26673921
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Access to the document
Install on your browser
DOI
10.1021/ci300261r 
https://dx.doi.org/10.1021/ci300261r
"O:13:\"PanistOpenUrl\":36:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000idc\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/ci300261r\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:9:\"\u0000*\u0000jtitle\";s:44:\"Journal of chemical information and modeling\";s:9:\"\u0000*\u0000stitle\";s:19:\"J. chem. inf. model\";s:7:\"\u0000*\u0000date\";s:4:\"2012\";s:9:\"\u0000*\u0000volume\";s:2:\"52\";s:8:\"\u0000*\u0000issue\";s:2:\"11\";s:8:\"\u0000*\u0000spage\";s:4:\"2884\";s:8:\"\u0000*\u0000epage\";s:4:\"2901\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1549-9596\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:10:\"TODESCHINI\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Roberto\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"CONSONNI, Viviana\";i:1;s:9:\"HUA XIANG\";i:2;s:14:\"HOLLIDAY, John\";i:3;s:16:\"BUSCEMA, Massimo\";i:4;s:14:\"WILLETT, Peter\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"18\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Panist access
"O:12:\"IstexOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/ci300261r\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:9:\"\u0000*\u0000jtitle\";s:44:\"Journal of chemical information and modeling\";s:9:\"\u0000*\u0000stitle\";s:19:\"J. chem. inf. model\";s:7:\"\u0000*\u0000date\";s:4:\"2012\";s:9:\"\u0000*\u0000volume\";s:2:\"52\";s:8:\"\u0000*\u0000issue\";s:2:\"11\";s:8:\"\u0000*\u0000spage\";s:4:\"2884\";s:8:\"\u0000*\u0000epage\";s:4:\"2901\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1549-9596\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:10:\"TODESCHINI\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Roberto\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"CONSONNI, Viviana\";i:1;s:9:\"HUA XIANG\";i:2;s:14:\"HOLLIDAY, John\";i:3;s:16:\"BUSCEMA, Massimo\";i:4;s:14:\"WILLETT, Peter\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"18\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Istex access
"O:16:\"UnpaywallOpenUrl\":35:{s:8:\"\u0000*\u0000email\";s:27:\"assistance-portail@inist.fr\";s:6:\"\u0000*\u0000fmt\";N;s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/ci300261r\";s:6:\"\u0000*\u0000pii\";N;s:7:\"\u0000*\u0000pmid\";N;s:9:\"\u0000*\u0000atitle\";N;s:9:\"\u0000*\u0000jtitle\";N;s:9:\"\u0000*\u0000stitle\";N;s:7:\"\u0000*\u0000date\";N;s:9:\"\u0000*\u0000volume\";N;s:8:\"\u0000*\u0000issue\";N;s:8:\"\u0000*\u0000spage\";N;s:8:\"\u0000*\u0000epage\";N;s:8:\"\u0000*\u0000pages\";N;s:7:\"\u0000*\u0000issn\";N;s:8:\"\u0000*\u0000eissn\";N;s:9:\"\u0000*\u0000aulast\";N;s:10:\"\u0000*\u0000aufirst\";N;s:9:\"\u0000*\u0000auinit\";N;s:10:\"\u0000*\u0000auinitm\";N;s:5:\"\u0000*\u0000au\";N;s:9:\"\u0000*\u0000aucorp\";N;s:7:\"\u0000*\u0000isbn\";N;s:8:\"\u0000*\u0000coden\";N;s:8:\"\u0000*\u0000genre\";N;s:7:\"\u0000*\u0000part\";N;s:9:\"\u0000*\u0000btitle\";N;s:8:\"\u0000*\u0000title\";N;s:8:\"\u0000*\u0000place\";N;s:6:\"\u0000*\u0000pub\";N;s:10:\"\u0000*\u0000edition\";N;s:9:\"\u0000*\u0000tpages\";N;s:9:\"\u0000*\u0000series\";N;s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";N;}"
Unpaywall access
"O:16:\"EuropePMCOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/ci300261r\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:9:\"\u0000*\u0000jtitle\";s:44:\"Journal of chemical information and modeling\";s:9:\"\u0000*\u0000stitle\";s:19:\"J. chem. inf. model\";s:7:\"\u0000*\u0000date\";s:4:\"2012\";s:9:\"\u0000*\u0000volume\";s:2:\"52\";s:8:\"\u0000*\u0000issue\";s:2:\"11\";s:8:\"\u0000*\u0000spage\";s:4:\"2884\";s:8:\"\u0000*\u0000epage\";s:4:\"2901\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1549-9596\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:10:\"TODESCHINI\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Roberto\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"CONSONNI, Viviana\";i:1;s:9:\"HUA XIANG\";i:2;s:14:\"HOLLIDAY, John\";i:3;s:16:\"BUSCEMA, Massimo\";i:4;s:14:\"WILLETT, Peter\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"18\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Europe PubMed Central access
"O:11:\"BaseOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/ci300261r\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:9:\"\u0000*\u0000jtitle\";s:44:\"Journal of chemical information and modeling\";s:9:\"\u0000*\u0000stitle\";s:19:\"J. chem. inf. model\";s:7:\"\u0000*\u0000date\";s:4:\"2012\";s:9:\"\u0000*\u0000volume\";s:2:\"52\";s:8:\"\u0000*\u0000issue\";s:2:\"11\";s:8:\"\u0000*\u0000spage\";s:4:\"2884\";s:8:\"\u0000*\u0000epage\";s:4:\"2901\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1549-9596\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:10:\"TODESCHINI\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Roberto\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"CONSONNI, Viviana\";i:1;s:9:\"HUA XIANG\";i:2;s:14:\"HOLLIDAY, John\";i:3;s:16:\"BUSCEMA, Massimo\";i:4;s:14:\"WILLETT, Peter\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"18\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
Base Search access
"O:12:\"ArXivOpenUrl\":35:{s:10:\"\u0000*\u0000openUrl\";N;s:6:\"\u0000*\u0000fmt\";s:7:\"journal\";s:6:\"\u0000*\u0000doi\";s:17:\"10.1021\/ci300261r\";s:6:\"\u0000*\u0000pii\";s:0:\"\";s:7:\"\u0000*\u0000pmid\";s:0:\"\";s:9:\"\u0000*\u0000atitle\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:9:\"\u0000*\u0000jtitle\";s:44:\"Journal of chemical information and modeling\";s:9:\"\u0000*\u0000stitle\";s:19:\"J. chem. inf. model\";s:7:\"\u0000*\u0000date\";s:4:\"2012\";s:9:\"\u0000*\u0000volume\";s:2:\"52\";s:8:\"\u0000*\u0000issue\";s:2:\"11\";s:8:\"\u0000*\u0000spage\";s:4:\"2884\";s:8:\"\u0000*\u0000epage\";s:4:\"2901\";s:8:\"\u0000*\u0000pages\";s:0:\"\";s:7:\"\u0000*\u0000issn\";s:9:\"1549-9596\";s:8:\"\u0000*\u0000eissn\";s:0:\"\";s:9:\"\u0000*\u0000aulast\";s:10:\"TODESCHINI\";s:10:\"\u0000*\u0000aufirst\";s:7:\"Roberto\";s:9:\"\u0000*\u0000auinit\";s:0:\"\";s:10:\"\u0000*\u0000auinitm\";s:0:\"\";s:5:\"\u0000*\u0000au\";a:5:{i:0;s:17:\"CONSONNI, Viviana\";i:1;s:9:\"HUA XIANG\";i:2;s:14:\"HOLLIDAY, John\";i:3;s:16:\"BUSCEMA, Massimo\";i:4;s:14:\"WILLETT, Peter\";}s:9:\"\u0000*\u0000aucorp\";s:0:\"\";s:7:\"\u0000*\u0000isbn\";s:0:\"\";s:8:\"\u0000*\u0000coden\";s:0:\"\";s:8:\"\u0000*\u0000genre\";s:7:\"article\";s:7:\"\u0000*\u0000part\";s:0:\"\";s:9:\"\u0000*\u0000btitle\";s:0:\"\";s:8:\"\u0000*\u0000title\";s:125:\"Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets\";s:8:\"\u0000*\u0000place\";s:14:\"Washington, DC\";s:6:\"\u0000*\u0000pub\";s:25:\"American Chemical Society\";s:10:\"\u0000*\u0000edition\";s:0:\"\";s:9:\"\u0000*\u0000tpages\";s:2:\"18\";s:9:\"\u0000*\u0000series\";s:0:\"\";s:8:\"\u0000*\u0000proxy\";s:30:\"http:\/\/proxyout.inist.fr:8080\/\";s:12:\"\u0000*\u0000integrite\";b:1;}"
arXiv access
