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Journal Abstract Search
326 related items for PubMed ID: 29328995
1. FilTer BaSe: A web accessible chemical database for small compound libraries. Kolte BS, Londhe SR, Solanki BR, Gacche RN, Meshram RJ. J Mol Graph Model; 2018 Mar; 80():95-103. PubMed ID: 29328995 [Abstract] [Full Text] [Related]
2. Structure-Based Virtual Screening. Li Q, Shah S. Methods Mol Biol; 2017 Mar; 1558():111-124. PubMed ID: 28150235 [Abstract] [Full Text] [Related]
3. The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience. Bragina ME, Daina A, Perez MAS, Michielin O, Zoete V. Int J Mol Sci; 2022 Jan 12; 23(2):. PubMed ID: 35054998 [Abstract] [Full Text] [Related]
4. VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening. Gally JM, Bourg S, Fogha J, Do QT, Aci-Sèche S, Bonnet P. Curr Med Chem; 2020 Jan 12; 27(38):6480-6494. PubMed ID: 31242833 [Abstract] [Full Text] [Related]
5. PubChem BioAssay: 2017 update. Wang Y, Bryant SH, Cheng T, Wang J, Gindulyte A, Shoemaker BA, Thiessen PA, He S, Zhang J. Nucleic Acids Res; 2017 Jan 04; 45(D1):D955-D963. PubMed ID: 27899599 [Abstract] [Full Text] [Related]
6. Structure-Based Virtual Screening of Commercially Available Compound Libraries. Kireev D. Methods Mol Biol; 2016 Jan 04; 1439():65-76. PubMed ID: 27316988 [Abstract] [Full Text] [Related]
7. myChEMBL: a virtual machine implementation of open data and cheminformatics tools. Ochoa R, Davies M, Papadatos G, Atkinson F, Overington JP. Bioinformatics; 2014 Jan 15; 30(2):298-300. PubMed ID: 24262214 [Abstract] [Full Text] [Related]
8. TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database. Wang L, Ma C, Wipf P, Liu H, Su W, Xie XQ. AAPS J; 2013 Apr 15; 15(2):395-406. PubMed ID: 23292636 [Abstract] [Full Text] [Related]
9. ChemCom: A Software Program for Searching and Comparing Chemical Libraries. Saeedipour S, Tai D, Fang J. J Chem Inf Model; 2015 Jul 27; 55(7):1292-6. PubMed ID: 26067384 [Abstract] [Full Text] [Related]
10. The ChEMBL database in 2017. Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. Nucleic Acids Res; 2017 Jan 04; 45(D1):D945-D954. PubMed ID: 27899562 [Abstract] [Full Text] [Related]
11. ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery. Athanasiadis E, Cournia Z, Spyrou G. Bioinformatics; 2012 Nov 15; 28(22):3002-3. PubMed ID: 22962344 [Abstract] [Full Text] [Related]
12. Accessing the Open PHACTS Discovery Platform with Workflow Tools. Digles D, Caracoti A, Jacoby E. Methods Mol Biol; 2018 Nov 15; 1787():183-193. PubMed ID: 29736719 [Abstract] [Full Text] [Related]
13. Reaching for the bright StARs in chemical space. Medina-Franco JL, Naveja JJ, López-López E. Drug Discov Today; 2019 Nov 15; 24(11):2162-2169. PubMed ID: 31557448 [Abstract] [Full Text] [Related]
14. Virtual Compound Libraries in Computer-Assisted Drug Discovery. van Hilten N, Chevillard F, Kolb P. J Chem Inf Model; 2019 Feb 25; 59(2):644-651. PubMed ID: 30624918 [Abstract] [Full Text] [Related]
15. FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects. Lagorce D, Sperandio O, Galons H, Miteva MA, Villoutreix BO. BMC Bioinformatics; 2008 Sep 24; 9():396. PubMed ID: 18816385 [Abstract] [Full Text] [Related]
16. Design of a Fragment-Screening Library. Taylor A, Doak BC, Scanlon MJ. Methods Enzymol; 2018 Sep 24; 610():97-115. PubMed ID: 30390807 [Abstract] [Full Text] [Related]
17. Small molecule databases and chemical descriptors useful in chemoinformatics: an overview. Gozalbes R, Pineda-Lucena A. Comb Chem High Throughput Screen; 2011 Jul 24; 14(6):548-458. PubMed ID: 21521149 [Abstract] [Full Text] [Related]
18. Portals and Web-Based Resources for Virtual Screening. Krüger J, Thiel P, Merelli I, Grunzke R, Gesing S. Curr Drug Targets; 2016 Jul 24; 17(14):1649-1660. PubMed ID: 26844570 [Abstract] [Full Text] [Related]
19. 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 24; 36(10):. PubMed ID: 28586180 [Abstract] [Full Text] [Related]
20. LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically. Hu Q, Peng Z, Kostrowicki J, Kuki A. Methods Mol Biol; 2011 Oct 24; 685():253-76. PubMed ID: 20981528 [Abstract] [Full Text] [Related] Page: [Next] [New Search]