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Current Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 0929-8673
ISSN (Online): 1875-533X

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Editorial

Cheminformatics Toolboxes and Workflows within KNIME Analytics

Author(s): Antreas Afantitis and Georgia Melagraki

Volume 27, Issue 38, 2020

Page: [6442 - 6443] Pages: 2

DOI: 10.2174/092986732738201014102814

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[1]
Afantitis, A. Nanoinformatics: artificial intelligence and nanotechnology in the new decade. Comb. Chem. High Throughput Screen., 2020, 23(1), 4-5.
[http://dx.doi.org/10.2174/138620732301200316112000] [PMID: 32189589]
[2]
Afantitis, A.; Melagraki, G.; Isigonis, P.; Tsoumanis, A.; Varsou, D.D.; Valsami-Jones, E.; Papadiamantis, A.; Ellis, L.A.; Sarimveis, H.; Doganis, P.; Karatzas, P.; Tsiros, P.; Liampa, I.; Lobaskin, V.; Greco, D.; Serra, A.; Kinaret, P.; Saarimäki, L.A.; Grafström, R.; Kohonen, P.; Nymark, P.; Willighagen, E.; Puzyn, T.; Rybinska-Fryca, A.; Lyubartsev, A.; Jensen, K.A.; Brandenburg, J.G.; Lofts, S.; Svendsen, C.; Harrison, S.; Maier, D.; Tamm, K.; Jänes, J.; Sikk, L.; Dusinska, M.; Longhin, E.; Rundén-Pran, E.; Mariussen, E.; El Yamani, N.; Unger, W.; Radnik, J.; Tropsha, A.; Cohen, Y.; Leszczynski, J.; Hendren, C.O.; Wiesner, M.; Winkler, D.; Suzuki, N.; Yoon, T.H.; Choi, J.S.; Sanabria, N.; Gulumian, M.; Lynch, I. NanoSolveIT project: driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment. Comput. Struct. Biotechnol. J., 2020, 18, 583-602.
[http://dx.doi.org/10.1016/j.csbj.2020.02.023] [PMID: 32226594]
[3]
Melagraki, G.; Afantitis, A. Editorial: towards open access for cheminformatics. Comb. Chem. High Throughput Screen., 2016, 19(4), 260-261.
[http://dx.doi.org/10.2174/138620731904160413183904]] [PMID: 27109184]
[4]
Hemmerich, J.; Gurinova, J.; Digles, D. Accessing public compound databases with KNIME. Curr. Med. Chem., 2020, 27(38), 6444-6457.
[http://dx.doi.org/10.2174/0929867326666190801152317] [PMID: 31368867]
[5]
Mazanetz, M.P.; Goode, C.H.F.; Chudyk, E.I. Ligand and structure-based drug design and optimization using KNIME. Curr. Med. Chem., 2020, 27(38), 6458-6479.
[http://dx.doi.org/10.2174/0929867326666190409141016] [PMID: 30963962]
[6]
Gally, J-M.; Bourg, S.; Fogha, J.; Do, Q-T.; Aci-Seche, S.; Bonnet, P. VSPrep: a KNIME workflow for the preparation of molecular databases for virtual screening. Curr. Med. Chem., 2020, 27(38), 6480-6494.
[http://dx.doi.org/10.2174/0929867326666190614160451] [PMID: 31242833]
[7]
Roughley, S. Five years of the KNIME vernalis cheminformatics community contribution. Curr. Med. Chem., 2020, 27(38), 6495-6522.
[http://dx.doi.org/10.2174/0929867325666180904113616] [PMID: 30182834]
[8]
Afantitis, A.; Tsoumanis, A.; Melagraki, G. Enalos suite of tools: enhance cheminformatics and nanoinformatics through KNIME. Curr. Med. Chem., 2020, 27(38), 6523-6535.
[http://dx.doi.org/10.2174/0929867327666200727114410] [PMID: 32718281]

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