Detalhe da pesquisa
1.
Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins.
J Chem Inf Model
; 61(4): 1859-1874, 2021 04 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-33755448
2.
Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs.
J Chem Inf Model
; 57(10): 2424-2436, 2017 10 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28967750
3.
DNA-dependent protein kinase (DNA-PK) inhibitors: structure-activity relationships for O-alkoxyphenylchromen-4-one probes of the ATP-binding domain.
Bioorg Med Chem Lett
; 21(3): 966-70, 2011 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-21216595
4.
WizePairZ: a novel algorithm to identify, encode, and exploit matched molecular pairs with unspecified cores in medicinal chemistry.
J Chem Inf Model
; 50(8): 1350-7, 2010 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-20690655
5.
Chemists: AI Is Here; Unite To Get the Benefits.
J Med Chem
; 63(16): 8695-8704, 2020 08 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-32459965
6.
Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?
Drug Discov Today
; 23(7): 1373-1384, 2018 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29577971
7.
An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.
J Med Chem
; 58(23): 9309-33, 2015 Dec 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-26580420
8.
Matched molecular pair analysis in drug discovery.
Drug Discov Today
; 18(15-16): 724-31, 2013 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-23557664