Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Rodolfo Gonella Diaza"'
Autor:
Andrey A. Toropov, Alla P. Toropova, Alberto Manganaro, Emilio Benfenati, Rodolfo Gonella Diaza
Publikováno v:
Chemical Biology & Drug Design. 77:471-476
CORrelations And Logic (coral at http://www.insilico.eu/coral) is freeware aimed at establishing a quantitative structure - property/activity relationships (QSPR/QSAR). Simplified molecular input line entry system (SMILES) is used to represent the mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::463bfe15675d39f0cac0b6da444e8ae9
https://doi.org/10.1111/j.1747-0285.2011.01117.x
https://doi.org/10.1111/j.1747-0285.2011.01117.x
Autor:
Rodolfo Gonella Diaza, Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Guesippina Gini
Publikováno v:
Open Chemistry, Vol 9, Iss 1, Pp 165-174 (2011)
To validate QSAR models an external test set is increasingly used. However the definition of the compounds for the test set is still debated. We studied, co-evolutions of correlations between optimal descriptors and carcinogenicity (pTD50) for the su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af8fcf4b04de20f468818730a528fd33
https://doi.org/10.2478/s11532-010-0135-7
https://doi.org/10.2478/s11532-010-0135-7
Autor:
Rodolfo Gonella Diaza, Mario Salmona, Simone Cenci, Enrico Monzani, Paolo Cascio, Roberto Sitia, Tiziana Borsello, Enrico Davoli, Pietro Veglianese, Niccolò Pengo, Ada De Luigi, Eugenio Erba, Andrea Carrà, Silvana Anna Maria Urru, Elena Fumagalli, Gianluigi Forloni
Publikováno v:
Journal of Medicinal Chemistry. 53:7452-7460
The ubiquitin−proteasome system plays a critical role in many diseases, making it an attractive biomarker and therapeutic target. However, the impact of results obtained in vitro using purified proteasome particles or whole cell extracts is limited
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe9433062ab2dcf16a82661f2b04cec2
https://doi.org/10.1021/jm100362x
https://doi.org/10.1021/jm100362x
Autor:
Serena Manganelli, Alberto Manganaro, Emilio Benfenati, Alessandra Roncaglioni, Antonella Esposito, Rodolfo Gonella Diaza
Publikováno v:
SAR and QSAR in environmental research. 26(1)
Different in silico models have been developed and implemented for the evaluation of mammalian acute toxicity, exploring acute oral toxicity data expressed as median lethal dose (LD(50)). We compared five software programs (TOPKAT, ACD/ToxSuite, Terr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3111e70a76702afbe998fc26abad6c0b
https://pubmed.ncbi.nlm.nih.gov/25567032
https://pubmed.ncbi.nlm.nih.gov/25567032
Autor:
Anna Lombardo, Rodolfo Gonella Diaza, Andrea Gissi, Todd M. Martin, Simon Pardoe, Alberto Manganaro, Emilio Benfenati
Publikováno v:
Scopus-Elsevier
Europe PubMed Central
Europe PubMed Central
Leading QSAR models provide supporting documentation in addition to a predicted toxicological value. Such information enables the toxicologist to explore the properties of chemical substances as well as to review and to increase the reliability of to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d839a2ec9da679be787ab678078afbc
https://pubmed.ncbi.nlm.nih.gov/23338804
https://pubmed.ncbi.nlm.nih.gov/23338804
Autor:
Claire Mays, Emilio Benfenati, Antonio Cassano, Simon Pardoe, Ludger Benighaus, Giuseppina Gini, Rodolfo Gonella Diaza, Ralf Knauf
Publikováno v:
Chemistry Central Journal
Chemistry Central Journal, Vol 5, Iss 1, p 58 (2011)
Chemistry Central Journal, Vol 5, Iss 1, p 58 (2011)
In silico models have prompted considerable interest and debate because of their potential value in predicting the properties of chemical substances for regulatory purposes. The European REACH legislation promotes innovation and encourages the use of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bda4dbdd9defa7aba03b9be100426dd1
https://zenodo.org/record/811
https://zenodo.org/record/811
Autor:
Emilio, Benfenati, Andrey A, Toropov, Alla P, Toropova, Alberto, Manganaro, Rodolfo, Gonella Diaza
Publikováno v:
Chemical biologydrug design. 77(6)
CORrelations And Logic (coral at http://www.insilico.eu/coral) is freeware aimed at establishing a quantitative structure - property/activity relationships (QSPR/QSAR). Simplified molecular input line entry system (SMILES) is used to represent the mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6b7753a5c57284a41570ab439f73041f
https://pubmed.ncbi.nlm.nih.gov/21435183
https://pubmed.ncbi.nlm.nih.gov/21435183
Autor:
Silvana A.M. Urru, Pietro Veglianese, Ada De Luigi, Elena Fumagalli, Eugenio Erba, Rodolfo Gonella Diaza, Andrea CarraÌ, Enrico Davoli, Tiziana Borsello, Gianluigi Forloni, NiccoloÌ Pengo, Enrico Monzani, Paolo Cascio, Simone Cenci, Roberto Sitia, Mario Salmona
Publikováno v:
Journal of Medicinal Chemistry; Oct2010, Vol. 53 Issue 20, p7452-7460, 9p