120 related articles for article (PubMed ID: 32161645)
1. ccbmlib - a Python package for modeling Tanimoto similarity value distributions.
Vogt M; Bajorath J
F1000Res; 2020; 9():. PubMed ID: 32161645
[TBL] [Abstract][Full Text] [Related]
2. Introduction of the conditional correlated Bernoulli model of similarity value distributions and its application to the prospective prediction of fingerprint search performance.
Vogt M; Bajorath J
J Chem Inf Model; 2011 Oct; 51(10):2496-506. PubMed ID: 21892818
[TBL] [Abstract][Full Text] [Related]
3. Modeling Tanimoto Similarity Value Distributions and Predicting Search Results.
Vogt M; Bajorath J
Mol Inform; 2017 Jul; 36(7):. PubMed ID: 28032955
[TBL] [Abstract][Full Text] [Related]
4. Bit silencing in fingerprints enables the derivation of compound class-directed similarity metrics.
Wang Y; Bajorath J
J Chem Inf Model; 2008 Sep; 48(9):1754-9. PubMed ID: 18698839
[TBL] [Abstract][Full Text] [Related]
5. Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprints and Tanimoto coefficients.
Godden JW; Xue L; Bajorath J
J Chem Inf Comput Sci; 2000 Jan; 40(1):163-6. PubMed ID: 10661563
[TBL] [Abstract][Full Text] [Related]
6. Shannon entropy-based fingerprint similarity search strategy.
Wang Y; Geppert H; Bajorath J
J Chem Inf Model; 2009 Jul; 49(7):1687-91. PubMed ID: 19583222
[TBL] [Abstract][Full Text] [Related]
7. Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints.
Rácz A; Bajusz D; Héberger K
J Cheminform; 2018 Oct; 10(1):48. PubMed ID: 30288626
[TBL] [Abstract][Full Text] [Related]
8. Anatomy of fingerprint search calculations on structurally diverse sets of active compounds.
Godden JW; Stahura FL; Bajorath J
J Chem Inf Model; 2005; 45(6):1812-9. PubMed ID: 16309288
[TBL] [Abstract][Full Text] [Related]
9. When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values.
Baldi P; Nasr R
J Chem Inf Model; 2010 Jul; 50(7):1205-22. PubMed ID: 20540577
[TBL] [Abstract][Full Text] [Related]
10. Activity-relevant similarity values for fingerprints and implications for similarity searching.
Jasial S; Hu Y; Vogt M; Bajorath J
F1000Res; 2016; 5():. PubMed ID: 27127620
[TBL] [Abstract][Full Text] [Related]
11. Development of a compound class-directed similarity coefficient that accounts for molecular complexity effects in fingerprint searching.
Wang Y; Bajorath J
J Chem Inf Model; 2009 Jun; 49(6):1369-76. PubMed ID: 19480406
[TBL] [Abstract][Full Text] [Related]
12. Jaccard/Tanimoto similarity test and estimation methods for biological presence-absence data.
Chung NC; Miasojedow B; Startek M; Gambin A
BMC Bioinformatics; 2019 Dec; 20(Suppl 15):644. PubMed ID: 31874610
[TBL] [Abstract][Full Text] [Related]
13. GPU accelerated chemical similarity calculation for compound library comparison.
Ma C; Wang L; Xie XQ
J Chem Inf Model; 2011 Jul; 51(7):1521-7. PubMed ID: 21692447
[TBL] [Abstract][Full Text] [Related]
14. Design and evaluation of a molecular fingerprint involving the transformation of property descriptor values into a binary classification scheme.
Xue L; Godden JW; Stahura FL; Bajorath J
J Chem Inf Comput Sci; 2003; 43(4):1151-7. PubMed ID: 12870906
[TBL] [Abstract][Full Text] [Related]
15. Similarity-based virtual screening using 2D fingerprints.
Willett P
Drug Discov Today; 2006 Dec; 11(23-24):1046-53. PubMed ID: 17129822
[TBL] [Abstract][Full Text] [Related]
16. Analysis of the effects of related fingerprints on molecular similarity using an eigenvalue entropy approach.
Kuwahara H; Gao X
J Cheminform; 2021 Mar; 13(1):27. PubMed ID: 33757582
[TBL] [Abstract][Full Text] [Related]
17. KNIME-based Analysis of Off-Target Effect of Drugs Related to The Molecular 2D Fingerprint.
Karimah N; Schaftenaar G
J Pharm Pharm Sci; 2021; 24():256-266. PubMed ID: 34048670
[TBL] [Abstract][Full Text] [Related]
18. An intersection inequality sharper than the tanimoto triangle inequality for efficiently searching large databases.
Baldi P; Hirschberg DS
J Chem Inf Model; 2009 Aug; 49(8):1866-70. PubMed ID: 19601605
[TBL] [Abstract][Full Text] [Related]
19. Mathematical correction for fingerprint similarity measures to improve chemical retrieval.
Swamidass SJ; Baldi P
J Chem Inf Model; 2007; 47(3):952-64. PubMed ID: 17444629
[TBL] [Abstract][Full Text] [Related]
20. Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
Bajusz D; Rácz A; Héberger K
J Cheminform; 2015; 7():20. PubMed ID: 26052348
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]