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Results: 1 to 20 of 80

1.

Druggable chemical space and enumerative combinatorics.

Yu MJ.

J Cheminform. 2013 Apr 18;5(1):19. doi: 10.1186/1758-2946-5-19.

PMID:
23594604
[PubMed]
Free PMC Article
2.

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space.

Singh N, Sun H, Chaudhury S, Abdulhameed MD, Wallqvist A, Tawa G.

J Cheminform. 2012 Feb 8;4(1):4. doi: 10.1186/1758-2946-4-4.

PMID:
22316383
[PubMed]
Free PMC Article
3.

Natural product-like virtual libraries: recursive atom-based enumeration.

Yu MJ.

J Chem Inf Model. 2011 Mar 28;51(3):541-57. doi: 10.1021/ci1002087. Epub 2011 Mar 9.

PMID:
21388152
[PubMed - indexed for MEDLINE]
4.

Structural diversity of biologically interesting datasets: a scaffold analysis approach.

Khanna V, Ranganathan S.

J Cheminform. 2011 Aug 8;3:30. doi: 10.1186/1758-2946-3-30.

PMID:
21824432
[PubMed]
Free PMC Article
5.

Chemically engineered extracts: source of bioactive compounds.

Ramallo IA, Salazar MO, Mendez L, Furlan RL.

Acc Chem Res. 2011 Apr 19;44(4):241-50. doi: 10.1021/ar100106n. Epub 2011 Feb 28. Review.

PMID:
21355557
[PubMed - indexed for MEDLINE]
6.

Expanding the medicinally relevant chemical space with compound libraries.

López-Vallejo F, Giulianotti MA, Houghten RA, Medina-Franco JL.

Drug Discov Today. 2012 Jul;17(13-14):718-26. doi: 10.1016/j.drudis.2012.04.001. Epub 2012 Apr 10. Review.

PMID:
22515962
[PubMed - indexed for MEDLINE]
7.

Property distribution of drug-related chemical databases.

Oprea TI.

J Comput Aided Mol Des. 2000 Mar;14(3):251-64.

PMID:
10756480
[PubMed - indexed for MEDLINE]
8.

Expanding the ChemGPS chemical space with natural products.

Larsson J, Gottfries J, Bohlin L, Backlund A.

J Nat Prod. 2005 Jul;68(7):985-91.

PMID:
16038536
[PubMed - indexed for MEDLINE]
9.
10.

Sulfur organic compounds in bottom sediments of the eastern Gulf of Finland.

Khoroshko LO, Petrova VN, Takhistov VV, Viktorovskii IV, Lahtiperä M, Paasivirta J.

Environ Sci Pollut Res Int. 2007 Sep;14(6):366-76.

PMID:
17993219
[PubMed - indexed for MEDLINE]
11.

Charting, navigating, and populating natural product chemical space for drug discovery.

Lachance H, Wetzel S, Kumar K, Waldmann H.

J Med Chem. 2012 Jul 12;55(13):5989-6001. doi: 10.1021/jm300288g. Epub 2012 May 11. Review.

PMID:
22537178
[PubMed - indexed for MEDLINE]
13.

High impact technologies for natural products screening.

Koehn FE.

Prog Drug Res. 2008;65:175, 177-210. Review.

PMID:
18084916
[PubMed - indexed for MEDLINE]
14.

An in silico evaluation of the ADMET profile of the StreptomeDB database.

Ntie-Kang F.

Springerplus. 2013 Jul 30;2:353. doi: 10.1186/2193-1801-2-353. eCollection 2013.

PMID:
23961417
[PubMed]
Free PMC Article
15.

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

Petrone PM, Simms B, Nigsch F, Lounkine E, Kutchukian P, Cornett A, Deng Z, Davies JW, Jenkins JL, Glick M.

ACS Chem Biol. 2012 Aug 17;7(8):1399-409. doi: 10.1021/cb3001028. Epub 2012 May 31.

PMID:
22594495
[PubMed - indexed for MEDLINE]
16.
17.

Fragment-based drug design: computational & experimental state of the art.

Hoffer L, Renaud JP, Horvath D.

Comb Chem High Throughput Screen. 2011 Jul;14(6):500-20. Review.

PMID:
21521152
[PubMed - indexed for MEDLINE]
18.

Exploring novel target space: a need to partner high throughput docking and ligand-based similarity searches?

Shanmugasundaram K, Rigby AC.

Comb Chem High Throughput Screen. 2009 Dec;12(10):984-99. Review.

PMID:
20025564
[PubMed - indexed for MEDLINE]
19.

Fragment-based approach to drug lead discovery: overview and advances in various techniques.

Fattori D, Squarcia A, Bartoli S.

Drugs R D. 2008;9(4):217-27. Review.

PMID:
18588353
[PubMed - indexed for MEDLINE]
20.

Target specific compound identification using a support vector machine.

Plewczynski D, von Grotthuss M, Spieser SA, Rychlewski L, Wyrwicz LS, Ginalski K, Koch U.

Comb Chem High Throughput Screen. 2007 Mar;10(3):189-96.

PMID:
17346118
[PubMed - indexed for MEDLINE]
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