94 related articles for article (PubMed ID: 23822517)
1. An expert system to predict the forced degradation of organic molecules.
Parenty AD; Button WG; Ott MA
Mol Pharm; 2013 Aug; 10(8):2962-74. PubMed ID: 23822517
[TBL] [Abstract][Full Text] [Related]
2. In silico prediction of pharmaceutical degradation pathways: a benchmarking study.
Kleinman MH; Baertschi SW; Alsante KM; Reid DL; Mowery MD; Shimanovich R; Foti C; Smith WK; Reynolds DW; Nefliu M; Ott MA
Mol Pharm; 2014 Nov; 11(11):4179-88. PubMed ID: 25364862
[TBL] [Abstract][Full Text] [Related]
3. Microbial pathway prediction: a functional group approach.
Hou BK; Wackett LP; Ellis LB
J Chem Inf Comput Sci; 2003; 43(3):1051-7. PubMed ID: 12767164
[TBL] [Abstract][Full Text] [Related]
4. Data-driven extraction of relative reasoning rules to limit combinatorial explosion in biodegradation pathway prediction.
Fenner K; Gao J; Kramer S; Ellis L; Wackett L
Bioinformatics; 2008 Sep; 24(18):2079-85. PubMed ID: 18641402
[TBL] [Abstract][Full Text] [Related]
5. Prediction of drug degradants using DELPHI: an expert system for focusing knowledge.
Pole DL; Ando HY; Murphy ST
Mol Pharm; 2007; 4(4):539-49. PubMed ID: 17602568
[TBL] [Abstract][Full Text] [Related]
6. Computing fragmentation trees from tandem mass spectrometry data.
Rasche F; Svatos A; Maddula RK; Böttcher C; Böcker S
Anal Chem; 2011 Feb; 83(4):1243-51. PubMed ID: 21182243
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Encoding microbial metabolic logic: predicting biodegradation.
Hou BK; Ellis LB; Wackett LP
J Ind Microbiol Biotechnol; 2004 Jul; 31(6):261-72. PubMed ID: 15248088
[TBL] [Abstract][Full Text] [Related]
9. Improving the efficiencies of simultaneous organic substance and nitrogen removal in a multi-stage loop membrane bioreactor-based PWWTP using an on-line Knowledge-Based Expert System.
Chen ZB; Nie SK; Ren NQ; Chen ZQ; Wang HC; Cui MH
Water Res; 2011 Oct; 45(16):5266-78. PubMed ID: 21862097
[TBL] [Abstract][Full Text] [Related]
10. Predicting biodegradation.
Wackett LP; Ellis LB
Environ Microbiol; 1999 Apr; 1(2):119-24. PubMed ID: 11207727
[TBL] [Abstract][Full Text] [Related]
11. Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR.
Greene N; Judson PN; Langowski JJ; Marchant CA
SAR QSAR Environ Res; 1999; 10(2-3):299-314. PubMed ID: 10491855
[TBL] [Abstract][Full Text] [Related]
12. A multivariate chemical map of industrial chemicals--assessment of various protocols for identification of chemicals of potential concern.
Stenberg M; Linusson A; Tysklind M; Andersson PL
Chemosphere; 2009 Aug; 76(7):878-84. PubMed ID: 19515399
[TBL] [Abstract][Full Text] [Related]
13. The ROBIA program for predicting organic reactivity.
Socorro IM; Goodman JM
J Chem Inf Model; 2006; 46(2):606-14. PubMed ID: 16562989
[TBL] [Abstract][Full Text] [Related]
14. In-silico screening of high production volume chemicals for mutagenicity using the MCASE QSAR expert system.
Klopman G; Chakravarti SK; Harris N; Ivanov J; Saiakhov RD
SAR QSAR Environ Res; 2003 Apr; 14(2):165-80. PubMed ID: 12747573
[TBL] [Abstract][Full Text] [Related]
15. An expert system for inferring structures of organic compounds from their mass spectra.
Sridhar MP; Menon AG; Sastry PS
Rapid Commun Mass Spectrom; 1991 Apr; 5(4):206-13. PubMed ID: 1804414
[TBL] [Abstract][Full Text] [Related]
16. Construction of functional group reactivity database under various reaction conditions automatically extracted from reaction database in a synthesis design system.
Tanaka A; Okamoto H; Bersohn M
J Chem Inf Model; 2010 Mar; 50(3):327-38. PubMed ID: 20187659
[TBL] [Abstract][Full Text] [Related]
17. Prediction of solubility curves and melting properties of organic and pharmaceutical compounds.
Nordström FL; Rasmuson AC
Eur J Pharm Sci; 2009 Feb; 36(2-3):330-44. PubMed ID: 19022383
[TBL] [Abstract][Full Text] [Related]
18. Prediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationships.
Cheng A; Merz KM
J Med Chem; 2003 Aug; 46(17):3572-80. PubMed ID: 12904062
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Computational aqueous solubility prediction for drug-like compounds in congeneric series.
Du-Cuny L; Huwyler J; Wiese M; Kansy M
Eur J Med Chem; 2008 Mar; 43(3):501-12. PubMed ID: 17574307
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
