246 related articles for article (PubMed ID: 25777527)
1. SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds.
Rudik A; Dmitriev A; Lagunin A; Filimonov D; Poroikov V
Bioinformatics; 2015 Jun; 31(12):2046-8. PubMed ID: 25777527
[TBL] [Abstract][Full Text] [Related]
2. Metabolism site prediction based on xenobiotic structural formulas and PASS prediction algorithm.
Rudik AV; Dmitriev AV; Lagunin AA; Filimonov DA; Poroikov VV
J Chem Inf Model; 2014 Feb; 54(2):498-507. PubMed ID: 24417355
[TBL] [Abstract][Full Text] [Related]
3. Prediction of metabolites of epoxidation reaction in MetaTox.
Rudik AV; Dmitriev AV; Bezhentsev VM; Lagunin AA; Filimonov DA; Poroikov VV
SAR QSAR Environ Res; 2017 Oct; 28(10):833-842. PubMed ID: 29157013
[TBL] [Abstract][Full Text] [Related]
4. Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule.
Mishra NK; Agarwal S; Raghava GP
BMC Pharmacol; 2010 Jul; 10():8. PubMed ID: 20637097
[TBL] [Abstract][Full Text] [Related]
5. XenoSite server: a web-available site of metabolism prediction tool.
Matlock MK; Hughes TB; Swamidass SJ
Bioinformatics; 2015 Apr; 31(7):1136-7. PubMed ID: 25411327
[TBL] [Abstract][Full Text] [Related]
6. Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics.
Rudik AV; Dmitriev AV; Lagunin AA; Filimonov DA; Poroikov VV
J Cheminform; 2016; 8():68. PubMed ID: 27994650
[TBL] [Abstract][Full Text] [Related]
7. FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.
Šícho M; de Bruyn Kops C; Stork C; Svozil D; Kirchmair J
J Chem Inf Model; 2017 Aug; 57(8):1832-1846. PubMed ID: 28782945
[TBL] [Abstract][Full Text] [Related]
8. ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction.
Lagunin A; Rudik A; Druzhilovsky D; Filimonov D; Poroikov V; Wren J
Bioinformatics; 2018 Feb; 34(4):710-712. PubMed ID: 29069300
[TBL] [Abstract][Full Text] [Related]
9. MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites.
Rudik AV; Bezhentsev VM; Dmitriev AV; Druzhilovskiy DS; Lagunin AA; Filimonov DA; Poroikov VV
J Chem Inf Model; 2017 Apr; 57(4):638-642. PubMed ID: 28345905
[TBL] [Abstract][Full Text] [Related]
10. Computational Prediction of Inhibitors and Inducers of the Major Isoforms of Cytochrome P450.
Rudik A; Dmitriev A; Lagunin A; Filimonov D; Poroikov V
Molecules; 2022 Sep; 27(18):. PubMed ID: 36144612
[TBL] [Abstract][Full Text] [Related]
11. RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules.
Zaretzki J; Bergeron C; Huang TW; Rydberg P; Swamidass SJ; Breneman CM
Bioinformatics; 2013 Feb; 29(4):497-8. PubMed ID: 23242264
[TBL] [Abstract][Full Text] [Related]
12. Extending P450 site-of-metabolism models with region-resolution data.
Zaretzki JM; Browning MR; Hughes TB; Swamidass SJ
Bioinformatics; 2015 Jun; 31(12):1966-73. PubMed ID: 25697821
[TBL] [Abstract][Full Text] [Related]
13. 2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes.
Liu R; Liu J; Tawa G; Wallqvist A
J Chem Inf Model; 2012 Jun; 52(6):1698-712. PubMed ID: 22631565
[TBL] [Abstract][Full Text] [Related]
14. QNA-Based Prediction of Sites of Metabolism.
Tarasova O; Rudik A; Dmitriev A; Lagunin A; Filimonov D; Poroikov V
Molecules; 2017 Dec; 22(12):. PubMed ID: 29194399
[TBL] [Abstract][Full Text] [Related]
15. SOMEViz: a web service for site of metabolism estimating and visualizing.
Shen Q; Zheng M; Lu J; Luo C; Zhu W; Chen K; Luo X; Jiang H
Protein Pept Lett; 2012 Sep; 19(9):905-9. PubMed ID: 22894162
[TBL] [Abstract][Full Text] [Related]
16. [Cytochrome P450 isoenzymes in metabolism of endo- and exogenic compounds].
Wiśniewska A; Mazerska Z
Postepy Biochem; 2009; 55(3):259-71. PubMed ID: 19928582
[TBL] [Abstract][Full Text] [Related]
17. Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach.
Korolev D; Balakin KV; Nikolsky Y; Kirillov E; Ivanenkov YA; Savchuk NP; Ivashchenko AA; Nikolskaya T
J Med Chem; 2003 Aug; 46(17):3631-43. PubMed ID: 12904067
[TBL] [Abstract][Full Text] [Related]
18. DIGEP-Pred: web service for in silico prediction of drug-induced gene expression profiles based on structural formula.
Lagunin A; Ivanov S; Rudik A; Filimonov D; Poroikov V
Bioinformatics; 2013 Aug; 29(16):2062-3. PubMed ID: 23740741
[TBL] [Abstract][Full Text] [Related]
19. In Silico Prediction of Drug-Drug Interactions Mediated by Cytochrome P450 Isoforms.
Dmitriev AV; Rudik AV; Karasev DA; Pogodin PV; Lagunin AA; Filimonov DA; Poroikov VV
Pharmaceutics; 2021 Apr; 13(4):. PubMed ID: 33924315
[TBL] [Abstract][Full Text] [Related]
20. Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis.
Tyzack JD; Williamson MJ; Torella R; Glen RC
J Chem Inf Model; 2013 Jun; 53(6):1294-305. PubMed ID: 23701380
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]