Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Christos Kannas"'
Autor:
Daniela Dolciami, Eloy Villasclaras-Fernandez, Christos Kannas, Mirco Meniconi, Bissan Al-Lazikani, Albert A. Antolin
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-20 (2022)
Abstract Background Integration of medicinal chemistry data from numerous public resources is an increasingly important part of academic drug discovery and translational research because it can bring a wealth of important knowledge related to compoun
Externí odkaz:
https://doaj.org/article/f4b09ed7191441dfb6d8a4ffad630753
We introduce the Python package rxnutils that can be used to manipulate chemical reactions, reaction templates and reaction datasets. The package is built entirely on open-source software such as RDKit and is designed with robustness, extendibility,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9076e67a3beb51a67a82a5845ab36527
https://doi.org/10.26434/chemrxiv-2022-wt440-v2
https://doi.org/10.26434/chemrxiv-2022-wt440-v2
Autor:
Costas Mitsopoulos, Patrizio Di Micco, Eloy Villasclaras Fernandez, Daniela Dolciami, Esty Holt, Ioan L Mica, Elizabeth A Coker, Joseph E Tym, James Campbell, Ka Hing Che, Bugra Ozer, Christos Kannas, Albert A Antolin, Paul Workman, Bissan Al-Lazikani
Publikováno v:
Nucleic Acids Research
canSAR (http://cansar.icr.ac.uk) is the largest, public, freely available, integrative translational research and drug discovery knowledgebase for oncology. canSAR integrates vast multidisciplinary data from across genomic, protein, pharmacological,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::550de7116fa055897e0a9e92c7a5b41a
https://doi.org/10.1093/nar/gkaa1059
https://doi.org/10.1093/nar/gkaa1059