Targeting blood, breast, and ovarian cancers means that WINi have tremendous potential. But before they can help patients, Tansey said, "These studies will help us know how WINi can be applied in the clinic and how to get the most out of them for ameliorating hematologic malignancies." In t...
A. Three-dimensional structure generators of drug-like compounds: DG-AMMOS, an open-source package. Expert opinion on drug discovery 6, 339-351 (2011).Lagorce D, Villoutreix BO and Miteva MA (2011) Three-dimensional structure generators of drug-like c...
The classification trees arise from the stochastic generation of training sets, which in turn are used to estimate probability factors of test molecules to be drug-like compounds. Molecules were represented by Topological Quantum Similarity Indices and their Graph Theoretical counterparts. The contribution...
BackgroundIn order to better understand the structural features of natural compounds from traditional Chinese medicines, the scaffold architectures of drug-like compounds in MACCS-II Drug Data Report (MDDR), non-drug-like compounds in Available Chemical Directory (ACD), and natural compounds in Trad...
Kim, Structural Characterization of Drug-like Compounds by Ion Mobility Mass Spectrometry: Comparison of Theoretical and Experimentally Derived Nitrogen Collision ... I Campuzano,MF Bush,CV Robinson,... - 《Analytical Chemistry》 被引量: 143发表: 2012年 Large-Scale Structural Characterization of Drug...
Sheridan RP (2002) The Most Common Chemical Replacements in Drug-Like Compounds. Journal of Chemical Information and Computer Sciences 42: 103-108. doi: 10.1021/ci0100806 PMID: 11855973R. P. Sheridan, The most common chemical replacements in drug-like compounds. J. Chem. Inf. Comput. Sci. ...
(2012) Identification in silico and in vitro of novel trypanosomicidal drug-like compounds . Chem Biol Drug Des 80 : 38–45Castillo-Garit, J.A.; Del Toro-Cortes, O.; Kouznetsov, V.V.; Puentes, C.O.; Romero Bohorquez, A.R.; Vega, M.C.; Rolon, M.; Escario, J.A.; Gomez...
If a certain ADMET process can clearly be related to a single protein experimentally, and the 3D structure of this protein is accessible, it should be possible to design compounds that show, for example, attenuated binding to that protein. There are several proteins with distinguished relevance ...
Identification In Silico and In Vitro of Novel Trypanosomicidal Drug-Like Compounds Chemical Biology and Drug Design , 2012, 80 , 38-45 Juan A. Castillo-Garit, Oremia del Toro-Cortes, Vladimir V. Kouznetsov, Cristian Ochoa Puentes, Arnold R. Romero Bohorque...
Pre-plated Diversity Sets of drug-like screening compounds are designed for multi-target or phenotypic high-throughput screening campaigns.