212 related articles for article (PubMed ID: 19685275)
1. Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept.
Lisurek M; Rupp B; Wichard J; Neuenschwander M; von Kries JP; Frank R; Rademann J; Kühne R
Mol Divers; 2010 May; 14(2):401-8. PubMed ID: 19685275
[TBL] [Abstract][Full Text] [Related]
2. Scopy: an integrated negative design python library for desirable HTS/VS database design.
Yang ZY; Yang ZJ; Lu AP; Hou TJ; Cao DS
Brief Bioinform; 2021 May; 22(3):. PubMed ID: 32892221
[TBL] [Abstract][Full Text] [Related]
3. Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity.
Quintus F; Sperandio O; Grynberg J; Petitjean M; Tuffery P
BMC Bioinformatics; 2009 Aug; 10():245. PubMed ID: 19671127
[TBL] [Abstract][Full Text] [Related]
4. Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.
Kutchukian PS; So SS; Fischer C; Waller CL
Methods Mol Biol; 2015; 1289():43-53. PubMed ID: 25709032
[TBL] [Abstract][Full Text] [Related]
5. Application of a sparse matrix design strategy to the synthesis of dos libraries.
Akella LB; Marcaurelle LA
ACS Comb Sci; 2011 Jul; 13(4):357-64. PubMed ID: 21526822
[TBL] [Abstract][Full Text] [Related]
6. Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries.
O'Hagan S; Kell DB
Biotechnol J; 2018 Jan; 13(1):. PubMed ID: 29168302
[TBL] [Abstract][Full Text] [Related]
7. FilTer BaSe: A web accessible chemical database for small compound libraries.
Kolte BS; Londhe SR; Solanki BR; Gacche RN; Meshram RJ
J Mol Graph Model; 2018 Mar; 80():95-103. PubMed ID: 29328995
[TBL] [Abstract][Full Text] [Related]
8. Privileged structures: efficient chemical "navigators" toward unexplored biologically relevant chemical spaces.
Kim J; Kim H; Park SB
J Am Chem Soc; 2014 Oct; 136(42):14629-38. PubMed ID: 25310802
[TBL] [Abstract][Full Text] [Related]
9. Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules.
Takeda S; Kaneko H; Funatsu K
J Chem Inf Model; 2016 Oct; 56(10):1885-1893. PubMed ID: 27632418
[TBL] [Abstract][Full Text] [Related]
10. In silico design of small molecules.
Bernardo PH; Tong JC
Methods Mol Biol; 2012; 800():25-31. PubMed ID: 21964780
[TBL] [Abstract][Full Text] [Related]
11. Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space.
Nguyen HP; Koutsoukas A; Mohd Fauzi F; Drakakis G; Maciejewski M; Glen RC; Bender A
Chem Biol Drug Des; 2013 Sep; 82(3):252-66. PubMed ID: 23647865
[TBL] [Abstract][Full Text] [Related]
12. 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. PubMed ID: 22515962
[TBL] [Abstract][Full Text] [Related]
13. Automated recycling of chemistry for virtual screening and library design.
Vainio MJ; Kogej T; Raubacher F
J Chem Inf Model; 2012 Jul; 52(7):1777-86. PubMed ID: 22657574
[TBL] [Abstract][Full Text] [Related]
14. Coverage and bias in chemical library design.
Gregori-Puigjané E; Mestres J
Curr Opin Chem Biol; 2008 Jun; 12(3):359-65. PubMed ID: 18423416
[TBL] [Abstract][Full Text] [Related]
15. Reaching for the bright StARs in chemical space.
Medina-Franco JL; Naveja JJ; López-López E
Drug Discov Today; 2019 Nov; 24(11):2162-2169. PubMed ID: 31557448
[TBL] [Abstract][Full Text] [Related]
16. Computational-aided design of a library of lactams through a diversity-oriented synthesis strategy.
Saldívar-González FI; Lenci E; Calugi L; Medina-Franco JL; Trabocchi A
Bioorg Med Chem; 2020 Jun; 28(12):115539. PubMed ID: 32503698
[TBL] [Abstract][Full Text] [Related]
17. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A
J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493
[TBL] [Abstract][Full Text] [Related]
18. Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
Wassermann AM; Kutchukian PS; Lounkine E; Luethi T; Hamon J; Bocker MT; Malik HA; Cowan-Jacob SW; Glick M
J Med Chem; 2013 Nov; 56(21):8879-91. PubMed ID: 24117015
[TBL] [Abstract][Full Text] [Related]
19. On the design of lead-like DNA-encoded chemical libraries.
Castan IFSF; Graham JS; Salvini CLA; Stanway-Gordon HA; Waring MJ
Bioorg Med Chem; 2021 Aug; 43():116273. PubMed ID: 34147943
[TBL] [Abstract][Full Text] [Related]
20. Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction.
Kim J; Jung J; Koo J; Cho W; Lee WS; Kim C; Park W; Park SB
Nat Commun; 2016 Oct; 7():13196. PubMed ID: 27774980
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]