309 related articles for article (PubMed ID: 27382417)
1. Comparing structural fingerprints using a literature-based similarity benchmark.
O'Boyle NM; Sayle RA
J Cheminform; 2016; 8():36. PubMed ID: 27382417
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints.
Hinselmann G; Rosenbaum L; Jahn A; Fechner N; Zell A
J Cheminform; 2011 Jan; 3(1):3. PubMed ID: 21219648
[TBL] [Abstract][Full Text] [Related]
5. Large-scale similarity search profiling of ChEMBL compound data sets.
Heikamp K; Bajorath J
J Chem Inf Model; 2011 Aug; 51(8):1831-9. PubMed ID: 21728295
[TBL] [Abstract][Full Text] [Related]
6. Rendering conventional molecular fingerprints for virtual screening independent of molecular complexity and size effects.
Nisius B; Bajorath J
ChemMedChem; 2010 Jun; 5(6):859-68. PubMed ID: 20425878
[TBL] [Abstract][Full Text] [Related]
7. How do 2D fingerprints detect structurally diverse active compounds? Revealing compound subset-specific fingerprint features through systematic selection.
Heikamp K; Bajorath J
J Chem Inf Model; 2011 Sep; 51(9):2254-65. PubMed ID: 21793563
[TBL] [Abstract][Full Text] [Related]
8. Reduction and recombination of fingerprints of different design increase compound recall and the structural diversity of hits.
Nisius B; Bajorath J
Chem Biol Drug Des; 2010 Feb; 75(2):152-60. PubMed ID: 20028390
[TBL] [Abstract][Full Text] [Related]
9. Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds.
Geppert H; Horváth T; Gärtner T; Wrobel S; Bajorath J
J Chem Inf Model; 2008 Apr; 48(4):742-6. PubMed ID: 18318473
[TBL] [Abstract][Full Text] [Related]
10. Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods.
Duan J; Dixon SL; Lowrie JF; Sherman W
J Mol Graph Model; 2010 Sep; 29(2):157-70. PubMed ID: 20579912
[TBL] [Abstract][Full Text] [Related]
11. Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance.
Bender A; Mussa HY; Glen RC; Reiling S
J Chem Inf Comput Sci; 2004; 44(5):1708-18. PubMed ID: 15446830
[TBL] [Abstract][Full Text] [Related]
12. Improving the search performance of extended connectivity fingerprints through activity-oriented feature filtering and application of a bit-density-dependent similarity function.
Hu Y; Lounkine E; Bajorath J
ChemMedChem; 2009 Apr; 4(4):540-8. PubMed ID: 19263458
[TBL] [Abstract][Full Text] [Related]
13. Random reduction in fingerprint bit density improves compound recall in search calculations using complex reference molecules.
Wang Y; Geppert H; Bajorath J
Chem Biol Drug Des; 2008 Jun; 71(6):511-7. PubMed ID: 18466274
[TBL] [Abstract][Full Text] [Related]
14. An overview of molecular fingerprint similarity search in virtual screening.
Muegge I; Mukherjee P
Expert Opin Drug Discov; 2016; 11(2):137-48. PubMed ID: 26558489
[TBL] [Abstract][Full Text] [Related]
15. Using Domain-Specific Fingerprints Generated Through Neural Networks to Enhance Ligand-Based Virtual Screening.
Menke J; Koch O
J Chem Inf Model; 2021 Feb; 61(2):664-675. PubMed ID: 33497572
[TBL] [Abstract][Full Text] [Related]
16. The chemfp project.
Dalke A
J Cheminform; 2019 Dec; 11(1):76. PubMed ID: 33430977
[TBL] [Abstract][Full Text] [Related]
17. Open-source platform to benchmark fingerprints for ligand-based virtual screening.
Riniker S; Landrum GA
J Cheminform; 2013 May; 5(1):26. PubMed ID: 23721588
[TBL] [Abstract][Full Text] [Related]
18. Improving Measures of Chemical Structural Similarity Using Machine Learning on Chemical-Genetic Interactions.
Safizadeh H; Simpkins SW; Nelson J; Li SC; Piotrowski JS; Yoshimura M; Yashiroda Y; Hirano H; Osada H; Yoshida M; Boone C; Myers CL
J Chem Inf Model; 2021 Sep; 61(9):4156-4172. PubMed ID: 34318674
[TBL] [Abstract][Full Text] [Related]
19. Improved Deep Learning Based Method for Molecular Similarity Searching Using Stack of Deep Belief Networks.
Nasser M; Salim N; Hamza H; Saeed F; Rabiu I
Molecules; 2020 Dec; 26(1):. PubMed ID: 33383976
[TBL] [Abstract][Full Text] [Related]
20. Database fingerprint (DFP): an approach to represent molecular databases.
Fernández-de Gortari E; García-Jacas CR; Martinez-Mayorga K; Medina-Franco JL
J Cheminform; 2017; 9():9. PubMed ID: 28224019
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
