These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
16. VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening. Gally JM; Bourg S; Do QT; Aci-Sèche S; Bonnet P Mol Inform; 2017 Oct; 36(10):. PubMed ID: 28586180 [TBL] [Abstract][Full Text] [Related]
17. An automated framework for QSAR model building. Kausar S; Falcao AO J Cheminform; 2018 Jan; 10(1):1. PubMed ID: 29340790 [TBL] [Abstract][Full Text] [Related]
18. chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery. Lee ML; Aliagas I; Feng JA; Gabriel T; O'Donnell TJ; Sellers BD; Wiswedel B; Gobbi A J Cheminform; 2017 Jun; 9(1):38. PubMed ID: 29086196 [TBL] [Abstract][Full Text] [Related]
19. Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. Mansouri K; Moreira-Filho JT; Lowe CN; Charest N; Martin T; Tkachenko V; Judson R; Conway M; Kleinstreuer NC; Williams AJ J Cheminform; 2024 Feb; 16(1):19. PubMed ID: 38378618 [TBL] [Abstract][Full Text] [Related]
20. Drug discovery applications for KNIME: an open source data mining platform. Mazanetz MP; Marmon RJ; Reisser CB; Morao I Curr Top Med Chem; 2012; 12(18):1965-79. PubMed ID: 23110532 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]