113 related articles for article (PubMed ID: 28316236)
1. WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.
Awale M; Probst D; Reymond JL
J Chem Inf Model; 2017 Apr; 57(4):643-649. PubMed ID: 28316236
[TBL] [Abstract][Full Text] [Related]
2. Web-based 3D-visualization of the DrugBank chemical space.
Awale M; Reymond JL
J Cheminform; 2016; 8():25. PubMed ID: 27148409
[TBL] [Abstract][Full Text] [Related]
3. Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces.
Awale M; Reymond JL
J Chem Inf Model; 2015 Aug; 55(8):1509-16. PubMed ID: 26207526
[TBL] [Abstract][Full Text] [Related]
4. SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules.
Schwartz J; Awale M; Reymond JL
J Chem Inf Model; 2013 Aug; 53(8):1979-89. PubMed ID: 23845040
[TBL] [Abstract][Full Text] [Related]
5. Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17.
Awale M; Reymond JL
J Chem Inf Model; 2014 Jul; 54(7):1892-907. PubMed ID: 24988038
[TBL] [Abstract][Full Text] [Related]
6. A multi-fingerprint browser for the ZINC database.
Awale M; Reymond JL
Nucleic Acids Res; 2014 Jul; 42(Web Server issue):W234-9. PubMed ID: 24782520
[TBL] [Abstract][Full Text] [Related]
7. Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
Awale M; Jin X; Reymond JL
J Cheminform; 2015; 7():3. PubMed ID: 25750664
[TBL] [Abstract][Full Text] [Related]
8. Visualization and virtual screening of the chemical universe database GDB-17.
Ruddigkeit L; Blum LC; Reymond JL
J Chem Inf Model; 2013 Jan; 53(1):56-65. PubMed ID: 23259841
[TBL] [Abstract][Full Text] [Related]
9. MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.
Awale M; van Deursen R; Reymond JL
J Chem Inf Model; 2013 Feb; 53(2):509-18. PubMed ID: 23297797
[TBL] [Abstract][Full Text] [Related]
10. Optimizing TRPM4 inhibitors in the MHFP6 chemical space.
Delalande C; Awale M; Rubin M; Probst D; Ozhathil LC; Gertsch J; Abriel H; Reymond JL
Eur J Med Chem; 2019 Mar; 166():167-177. PubMed ID: 30708257
[TBL] [Abstract][Full Text] [Related]
11. A searchable map of PubChem.
van Deursen R; Blum LC; Reymond JL
J Chem Inf Model; 2010 Nov; 50(11):1924-34. PubMed ID: 20945869
[TBL] [Abstract][Full Text] [Related]
12. A probabilistic molecular fingerprint for big data settings.
Probst D; Reymond JL
J Cheminform; 2018 Dec; 10(1):66. PubMed ID: 30564943
[TBL] [Abstract][Full Text] [Related]
13. Exploring the chemical space of known and unknown organic small molecules at www.gdb.unibe.ch.
Reymond JL; Blum LC; van Deursen R
Chimia (Aarau); 2011; 65(11):863-7. PubMed ID: 22289373
[TBL] [Abstract][Full Text] [Related]
14. Expanding the fragrance chemical space for virtual screening.
Ruddigkeit L; Awale M; Reymond JL
J Cheminform; 2014; 6():27. PubMed ID: 24876890
[TBL] [Abstract][Full Text] [Related]
15. The chemical space project.
Reymond JL
Acc Chem Res; 2015 Mar; 48(3):722-30. PubMed ID: 25687211
[TBL] [Abstract][Full Text] [Related]
16. Cluster analysis of the DrugBank chemical space using molecular quantum numbers.
Awale M; Reymond JL
Bioorg Med Chem; 2012 Sep; 20(18):5372-8. PubMed ID: 22465859
[TBL] [Abstract][Full Text] [Related]
17. Chemical Space: Big Data Challenge for Molecular Diversity.
Awale M; Visini R; Probst D; Arús-Pous J; Reymond JL
Chimia (Aarau); 2017 Oct; 71(10):661-666. PubMed ID: 29070411
[TBL] [Abstract][Full Text] [Related]
18. Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.
Blum LC; van Deursen R; Reymond JL
J Comput Aided Mol Des; 2011 Jul; 25(7):637-47. PubMed ID: 21618009
[TBL] [Abstract][Full Text] [Related]
19. Exploring chemical space for drug discovery using the chemical universe database.
Reymond JL; Awale M
ACS Chem Neurosci; 2012 Sep; 3(9):649-57. PubMed ID: 23019491
[TBL] [Abstract][Full Text] [Related]
20. One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.
Capecchi A; Probst D; Reymond JL
J Cheminform; 2020 Jun; 12(1):43. PubMed ID: 33431010
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
