210 related articles for article (PubMed ID: 33104791)
1. DrugSpaceX: a large screenable and synthetically tractable database extending drug space.
Yang T; Li Z; Chen Y; Feng D; Wang G; Fu Z; Ding X; Tan X; Zhao J; Luo X; Chen K; Jiang H; Zheng M
Nucleic Acids Res; 2021 Jan; 49(D1):D1170-D1178. PubMed ID: 33104791
[TBL] [Abstract][Full Text] [Related]
2. How to Prepare a Compound Collection Prior to Virtual Screening.
Bologa CG; Ursu O; Oprea TI
Methods Mol Biol; 2019; 1939():119-138. PubMed ID: 30848459
[TBL] [Abstract][Full Text] [Related]
3. Global Substance Registration System: consistent scientific descriptions for substances related to health.
Peryea T; Southall N; Miller M; Katzel D; Anderson N; Neyra J; Stemann S; Nguyễn ÐT; Amugoda D; Newatia A; Ghazzaoui R; Johanson E; Diederik H; Callahan L; Switzer F
Nucleic Acids Res; 2021 Jan; 49(D1):D1179-D1185. PubMed ID: 33137173
[TBL] [Abstract][Full Text] [Related]
4. Investigation of the Click-Chemical Space for Drug Design Using ZINClick.
Massarotti A
Methods Mol Biol; 2021; 2266():3-10. PubMed ID: 33759118
[TBL] [Abstract][Full Text] [Related]
5. The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience.
Bragina ME; Daina A; Perez MAS; Michielin O; Zoete V
Int J Mol Sci; 2022 Jan; 23(2):. PubMed ID: 35054998
[TBL] [Abstract][Full Text] [Related]
6. TIN-a combinatorial compound collection of synthetically feasible multicomponent synthesis products.
Dorschner KV; Toomey D; Brennan MP; Heinemann T; Duffy FJ; Nolan KB; Cox D; Adamo MF; Chubb AJ
J Chem Inf Model; 2011 May; 51(5):986-95. PubMed ID: 21495663
[TBL] [Abstract][Full Text] [Related]
7. PatchSearch: a web server for off-target protein identification.
Rey J; Rasolohery I; Tufféry P; Guyon F; Moroy G
Nucleic Acids Res; 2019 Jul; 47(W1):W365-W372. PubMed ID: 31131411
[TBL] [Abstract][Full Text] [Related]
8. The purchasable chemical space: a detailed picture.
Lucas X; Grüning BA; Bleher S; Günther S
J Chem Inf Model; 2015 May; 55(5):915-24. PubMed ID: 25894297
[TBL] [Abstract][Full Text] [Related]
9. SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability.
Chevillard F; Kolb P
J Chem Inf Model; 2015 Sep; 55(9):1824-35. PubMed ID: 26282054
[TBL] [Abstract][Full Text] [Related]
10. From fragment screening to potent binders: strategies for fragment-to-lead evolution.
Eitner K; Koch U
Mini Rev Med Chem; 2009 Jul; 9(8):956-61. PubMed ID: 19601891
[TBL] [Abstract][Full Text] [Related]
11. PADFrag: A Database Built for the Exploration of Bioactive Fragment Space for Drug Discovery.
Yang JF; Wang F; Jiang W; Zhou GY; Li CZ; Zhu XL; Hao GF; Yang GF
J Chem Inf Model; 2018 Sep; 58(9):1725-1730. PubMed ID: 30134653
[TBL] [Abstract][Full Text] [Related]
12. PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies.
Cao DS; Liang YZ; Yan J; Tan GS; Xu QS; Liu S
J Chem Inf Model; 2013 Nov; 53(11):3086-96. PubMed ID: 24047419
[TBL] [Abstract][Full Text] [Related]
13. Reaction-Based Enumeration, Active Learning, and Free Energy Calculations To Rapidly Explore Synthetically Tractable Chemical Space and Optimize Potency of Cyclin-Dependent Kinase 2 Inhibitors.
Konze KD; Bos PH; Dahlgren MK; Leswing K; Tubert-Brohman I; Bortolato A; Robbason B; Abel R; Bhat S
J Chem Inf Model; 2019 Sep; 59(9):3782-3793. PubMed ID: 31404495
[TBL] [Abstract][Full Text] [Related]
14. Structure-Based Virtual Screening of Commercially Available Compound Libraries.
Kireev D
Methods Mol Biol; 2016; 1439():65-76. PubMed ID: 27316988
[TBL] [Abstract][Full Text] [Related]
15. Identification of novel inhibitors of DDR1 against idiopathic pulmonary fibrosis by integrative transcriptome meta-analysis, computational and experimental screening.
Chen C; Deng J; Yu X; Wu F; Men K; Yang Q; Zhu Y; Liu X; Jiang Q
Mol Biosyst; 2016 Apr; 12(5):1540-51. PubMed ID: 26956955
[TBL] [Abstract][Full Text] [Related]
16. ACFIS: a web server for fragment-based drug discovery.
Hao GF; Jiang W; Ye YN; Wu FX; Zhu XL; Guo FB; Yang GF
Nucleic Acids Res; 2016 Jul; 44(W1):W550-6. PubMed ID: 27150808
[TBL] [Abstract][Full Text] [Related]
17. Documenting and harnessing the biological potential of molecules in Distributed Drug Discovery (D3) virtual catalogs.
Abraham MM; Denton RE; Harper RW; Scott WL; O'Donnell MJ; Durrant JD
Chem Biol Drug Des; 2017 Nov; 90(5):909-918. PubMed ID: 28453915
[TBL] [Abstract][Full Text] [Related]
18. Integration of the Drug-Gene Interaction Database (DGIdb 4.0) with open crowdsource efforts.
Freshour SL; Kiwala S; Cotto KC; Coffman AC; McMichael JF; Song JJ; Griffith M; Griffith OL; Wagner AH
Nucleic Acids Res; 2021 Jan; 49(D1):D1144-D1151. PubMed ID: 33237278
[TBL] [Abstract][Full Text] [Related]
19. LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically.
Hu Q; Peng Z; Kostrowicki J; Kuki A
Methods Mol Biol; 2011; 685():253-76. PubMed ID: 20981528
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
