المؤلفون: Davide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan A. Sieber

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-16 (2024)

مصطلحات موضوعية: Fingerprint, Natural products, Virtual screening, Similarity, Supervised classification, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/46f966aabfba49c5aca910c8dd8a61cc

المؤلفون: Veronica Termopoli, Viviana Consonni, Davide Ballabio, Roberto Todeschini, Marco Orlandi, Fabio Gosetti

المصدر: Separations, Vol 9, Iss 10, p 289 (2022)

مصطلحات موضوعية: escitalopram, degradation products, transformation products, HPLC-MS, mass spectrometry, photolysis, Physics, QC1-999, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2297-8739/9/10/289; https://doaj.org/toc/2297-8739

URL الوصول: https://doaj.org/article/ef8166c7c8bd47cb82262940f06b9109

المؤلفون: Viviana Consonni, Fabio Gosetti, Veronica Termopoli, Roberto Todeschini, Cecile Valsecchi, Davide Ballabio

المصدر: Molecules, Vol 27, Iss 18, p 5827 (2022)

مصطلحات موضوعية: LC-MS/MS, chemometrics, fingerprints, similarity matching, classification, neural networks, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/27/18/5827; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/774278a446d741c0a6e68c11a91a5080

المؤلفون: Cecile Valsecchi, Viviana Consonni, Roberto Todeschini, Marco Emilio Orlandi, Fabio Gosetti, Davide Ballabio

المصدر: Molecules, Vol 26, Iss 23, p 7254 (2021)

مصطلحات موضوعية: neural networks, optimization, genetic algorithms, grid search, random search, tree-structured Parzen estimator, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/26/23/7254; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/6efa002dff22447b824520ca9609aeec

المؤلفون: Cristian Rojas, Roberto Todeschini, Davide Ballabio, Andrea Mauri, Viviana Consonni, Piercosimo Tripaldi, Francesca Grisoni

المصدر: Frontiers in Chemistry, Vol 5 (2017)

مصطلحات موضوعية: sweetness, QSAR, molecular descriptors, classification, expert system, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://journal.frontiersin.org/article/10.3389/fchem.2017.00053/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/bb5344b84baa417bb369cb2891e42bd7

المؤلفون: Roberto Todeschini, Viviana Consonni, Andrea Mauri, Davide Ballabio, Kamel Mansouri, Faizan Sahigara

المصدر: Molecules, Vol 17, Iss 5, Pp 4791-4810 (2012)

مصطلحات موضوعية: QSAR, model validation, Applicability Domain, interpolation space, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: http://www.mdpi.com/1420-3049/17/5/4791; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/7c3cc16ad8774312afcc7250122c7b56

المؤلفون: Francesca Grisoni, Daniel Merk, Viviana Consonni, Jan A. Hiss, Sara Giani Tagliabue, Roberto Todeschini, Gisbert Schneider

المصدر: Communications Chemistry, Vol 1, Iss 1, Pp 1-1 (2018)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2399-3669

URL الوصول: https://doaj.org/article/19d915930f944460a3e8b8a13ab6dcfe

المؤلفون: Viviana Consonni, Davide Ballabio, Roberto Todeschini

المساهمون: Kunal, R, Consonni, V, Ballabio, D, Todeschini, R

مصطلحات موضوعية: Chemical space, Cheminformatic, In silico modeling, Mathematical chemistry, Molecular descriptor, Molecular similarity, QSAR, CHIM/01 - CHIMICA ANALITICA

Relation: info:eu-repo/semantics/altIdentifier/isbn/9780443186387; ispartofbook:Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development; firstpage:303; lastpage:327; numberofpages:25; alleditors:Kunal, R; https://hdl.handle.net/10281/418058; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85163504986; https://shop.elsevier.com/books/cheminformatics-qsar-and-machine-learning-applications-for-novel-drug-development/hitchen/978-0-443-18638-7

الاتاحة: https://hdl.handle.net/10281/418058
https://doi.org/10.1016/B978-0-443-18638-7.00022-0
https://shop.elsevier.com/books/cheminformatics-qsar-and-machine-learning-applications-for-novel-drug-development/hitchen/978-0-443-18638-7

المؤلفون: Kunal, R, Consonni, V, Ballabio, D, Todeschini, R, Viviana Consonni, Davide Ballabio, Roberto Todeschini

مصطلحات الفهرس: Chemical space, Cheminformatic, In silico modeling, Mathematical chemistry, Molecular descriptor, Molecular similarity, QSAR, CHIM/01 - CHIMICA ANALITICA, info:eu-repo/semantics/bookPart

URL: https://hdl.handle.net/10281/418058
https://shop.elsevier.com/books/cheminformatics-qsar-and-machine-learning-applications-for-novel-drug-development/hitchen/978-0-443-18638-7
info:eu-repo/semantics/altIdentifier/isbn/9780443186387
ispartofbook:Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development
firstpage:303
lastpage:327
numberofpages:25
alleditors:Kunal, R

المؤلفون: Cecile Valsecchi, Francesca Grisoni, Viviana Consonni, Davide Ballabio, Roberto Todeschini

المساهمون: Hong, H, Valsecchi, C, Grisoni, F, Consonni, V, Ballabio, D, Todeschini, R

المصدر: Machine Learning and Deep Learning in Computational Toxicology ISBN: 9783031207297

مصطلحات موضوعية: CHIM/01 - CHIMICA ANALITICA, neural network, QSAR, chemometric

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6978375aa0cf9b79ad7b81c2b3653db
https://hdl.handle.net/10281/403342

المؤلفون: Viviana Consonni, Davide Ballabio, Roberto Todeschini

المساهمون: Todeschini, R, Ballabio, D, Consonni, V

المصدر: Encyclopedia of Analytical Chemistry

مصطلحات موضوعية: business.industry, Pattern recognition, Distance measures, Chemometrics, CHIM/01 - CHIMICA ANALITICA, Similarity (network science), machine laerning, Cheminformatics, analytical chemistry, Artificial intelligence, distance, business, similarity, chemometric, Mathematics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ccf39172e81b1d0117c92f92d4e7405d
https://doi.org/10.1002/9780470027318.a9438.pub2

المؤلفون: Cristian Rojas, Davide Ballabio, Viviana Consonni, Diego Suárez-Estrella, Roberto Todeschini

المساهمون: Rojas, C, Ballabio, D, Consonni, V, Suárez-Estrella, D, Todeschini, R

المصدر: Food Research International. :113036

مصطلحات موضوعية: CHIM/01 - CHIMICA ANALITICA, chemometrics, qspr, sweetness, molecular taste, Food Science

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a86fd820d3b4551f1601e74587dcb02b
https://doi.org/10.1016/j.foodres.2023.113036

المؤلفون: Francesca Grisoni, Magda Collarile, Cecile Valsecchi, Davide Ballabio, Roberto Todeschini, Viviana Consonni

المساهمون: Valsecchi, C, Collarile, M, Grisoni, F, Todeschini, R, Ballabio, D, Consonni, V

مصطلحات موضوعية: Quantitative structure–activity relationship, Artificial neural network, Computer science, business.industry, multitask, QSAR, Applied Mathematics, Deep learning, deep learning, Computational biology, Analytical Chemistry, Nuclear receptor, classification, CHIM/01 - CHIMICA ANALITICA, genetic algorithm, nuclear receptor, Artificial intelligence, business

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d6a07d3e663eb739d0a7418f531b6e6
http://hdl.handle.net/10281/354371

المؤلفون: Serena Nembri, Francesca Grisoni, Viviana Consonni, Roberto Todeschini

المصدر: International Journal of Molecular Sciences; Volume 17; Issue 6; Pages: 914

مصطلحات موضوعية: cytochrome P450, QSAR, CYP2C9, CYP3A4, in silico, ADMET

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry, Theoretical and Computational Chemistry; https://dx.doi.org/10.3390/ijms17060914

الاتاحة: https://doi.org/10.3390/ijms17060914

المؤلفون: Roberto Todeschini, Alejandro Pazos, Sonia Arrasate, Humberto González-Díaz

المصدر: International Journal of Molecular Sciences, Vol 17, Iss 12, p 2105 (2016)

مصطلحات موضوعية: n/a, Biology (General), QH301-705.5, Chemistry, QD1-999

Relation: http://www.mdpi.com/1422-0067/17/12/2105; https://doaj.org/toc/1422-0067; https://doaj.org/article/d137dc738b3d4178af3937c0e1926295

الاتاحة: https://doi.org/10.3390/ijms17122105
https://doaj.org/article/d137dc738b3d4178af3937c0e1926295

المؤلفون: Roberto Todeschini, Davide Ballabio, Francesca Grisoni

المساهمون: Todeschini, R, Grisoni, F, Ballabio, D

المصدر: Chemometrics and Intelligent Laboratory Systems. 191:129-137

مصطلحات موضوعية: Multivariate statistics, Dominance matrice, Computer science, computer.software_genre, Tournament table, 01 natural sciences, Analytical Chemistry, Set (abstract data type), Multi-criteria decision making, 03 medical and health sciences, CHIM/01 - CHIMICA ANALITICA, Relevance (information retrieval), Tournament tablesDominance matricesMulti-criteria decision makingRankingPower-weakness ratioPWRMCDM, MCDM, Spectroscopy, 030304 developmental biology, 0303 health sciences, Process Chemistry and Technology, PWR, 010401 analytical chemistry, Power-weakness ratio, Data structure, Wizard, 0104 chemical sciences, Computer Science Applications, Variable (computer science), Ranking, Principal component analysis, Data mining, computer, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44528b09f39563f1ea067b4dd45ec57a
https://doi.org/10.1016/j.chemolab.2019.06.005

المؤلفون: Swapnil Chavan, Ian Nicholls, Björn Karlsson, Annika Rosengren, Davide Ballabio, Viviana Consonni, Roberto Todeschini

المصدر: International Journal of Molecular Sciences; Volume 15; Issue 10; Pages: 18162-18174

مصطلحات موضوعية: k -nearest neighbor ( k -NN), Munro database, genetic algorithm (GA), acute toxicity (LD 50 )

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Toxicology; https://dx.doi.org/10.3390/ijms151018162

الاتاحة: https://doi.org/10.3390/ijms151018162

المؤلفون: Swapnil Chavan, Ian A. Nicholls, Björn C. G. Karlsson, Annika M. Rosengren, Davide Ballabio, Viviana Consonni, Roberto Todeschini

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://www.mdpi.com/1422-0067/15/10/18162/pdf/.

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.656.6992; http://www.mdpi.com/1422-0067/15/10/18162/pdf/

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.656.6992
http://www.mdpi.com/1422-0067/15/10/18162/pdf/

المؤلفون: Faizan Sahigara, Kamel Mansouri, Davide Ballabio, Andrea Mauri, Viviana Consonni, Roberto Todeschini

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://www.mdpi.com/1420-3049/17/5/4791/pdf/.

مصطلحات موضوعية: QSAR, model validation, Applicability Domain, interpolation space

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.361.205; http://www.mdpi.com/1420-3049/17/5/4791/pdf/

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.361.205
http://www.mdpi.com/1420-3049/17/5/4791/pdf/

المؤلفون: Roberto Todeschini, Francesca Grisoni, Davide Ballabio

المساهمون: Ballabio, D, Grisoni, F, Todeschini, R

المصدر: Chemometrics and Intelligent Laboratory Systems. 174:33-44

مصطلحات موضوعية: Multivariate statistics, Multivariate analysis, Computer science, Comparison, 02 engineering and technology, Machine learning, computer.software_genre, 01 natural sciences, Analytical Chemistry, Classification indice, Set (abstract data type), CHIM/01 - CHIMICA ANALITICA, 0202 electrical engineering, electronic engineering, information engineering, Classification measure, Sensitivity (control systems), Random benchmark, Spectroscopy, business.industry, Process Chemistry and Technology, 010401 analytical chemistry, Class (biology), 0104 chemical sciences, Computer Science Applications, Binary classification, Face (geometry), Benchmark (computing), 020201 artificial intelligence & image processing, Artificial intelligence, business, computer, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca2d20cdc06b2cdafeb50ebaeb715080
https://doi.org/10.1016/j.chemolab.2017.12.004