Results 311 to 320 of about 359,557 (359)

Virtual Screening of Compound Libraries

2009
During the last decade, Virtual Screening (VS) has definitively established itself as an important part of the drug discovery and development process. VS involves the selection of likely drug candidates from large libraries of chemical structures by using computational methodologies, but the generic definition of VS encompasses many different ...
Nuno M F S A, Cerqueira, Sérgio F, Sousa, Pedro A, Fernandes, Maria João, Ramos   +3 more
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Deconvolution Approaches in Screening Compound Mixtures

Combinatorial Chemistry & High Throughput Screening, 1997
Combinatorial chemistry initiatives can be used to generate compound mixtures, and it has become a challenge to effectively screen these mixtures for activity against a specified target. Overall mixture activity can be readily measured, however it is not c;J. straightforward matter to identify all those components giving rise to the total activity
D C, Schriemer, O, Hindsgaul
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Virtual Compound Screening In Drug Discovery

Future Medicinal Chemistry, 2012
Virtual screening (VS) methods are applied in both academia and drug discovery, and can be divided into ligand- and target structure-based approaches. The VS field is still evolving and is characterized by scientific heterogeneity. The value of virtual compound screening for drug discovery is often debated, in particular, given the large investments ...
Dagmar, Stumpfe, Peter, Ripphausen, Jürgen, Bajorath   +2 more
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Screening of Organic Compounds for Spermicidal Activity

Fertility and Sterility, 1959
581 organic compounds were studied for their spermicidal activity by a modified Brown and Gamble method. Of 55 compounds that were considered highly effective in aqueous solutions of .5% or less 31 were surfactant substances. A new class of polyhydric phenols bismonohydroxy and bisdihydroxyphenyl derivatives of methane were discovered to have strong ...
J H, HOLZAEPFEL, R W, GREENLEE, R E, WYANT, W C, ELLIS   +3 more
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Screening for new compounds with antiherpes activity

Antiviral Research, 1984
A number of compounds have been tested for antiherpes activity. Actinobolin, amicetin, carrageenan, laspartomycin, megalomycin C, pleuromutilin, suramin and tetracenomycin C showed significant protection of HeLa cell monolayers infected with herpes simplex virus type 1.
B, Alarcón, J C, Lacal, J M, Fernández-Sousa, L, Carrasco   +3 more
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Screening for chemopreventive (anticarcinogenic) compounds in rodents

Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis, 1992
The Chemoprevention Branch is testing dozens of candidate chemopreventive compounds in the following rodent model carcinogenesis systems: mouse skin papillomas, DMBA/TPA induced, rat mammary adenocarcinoma, DMBA and MNU induced, hamster tracheal squamous cell carcinoma, MNU induced, and lung adenocarcinoma, DEN induced, rat and mouse colon ...
C W, Boone, V E, Steele, G J, Kelloff
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Compound Collection Preparation for Virtual Screening

2012
Virtual screening is an established technique that has successfully been deployed in the identification of novel biologically active molecules. Whether for ligand-based or for structure-based virtual screening, a chemical collection needs to be properly processed prior to in silico evaluation.
Cristian G, Bologa, Tudor I, Oprea
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Design of compound libraries for fragment screening

Journal of Computer-Aided Molecular Design, 2009
Approaches to the design of libraries for fragment screening are illustrated with reference to a 20 k generic fragment screening library and a 1.2 k generic NMR screening library. Tools and methods for library design that have been developed within AstraZeneca are described, including Foyfi fingerprints and the Flush program for neighborhood ...
Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, Karin Kolmodin   +3 more
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Screening of Fluorine-Containing Compounds for Acute Toxicity

Journal of Occupational and Environmental Medicine, 1960
Abstract The maximal tolerated dose and the minimal lethal dose in mice are estimated for a series of twenty flucrine-containing organic compounds, four inorganic compounds of fluorine, and three nonfluorine-containing organic compounds.
F A, SMITH, W L, DOWNS, H C, HODGE, E A, MAYNARD   +3 more
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Screening of toxic compounds in tissue culture

Toxicology, 1980
To screen toxicity of chemicals most often easily manageable cultures of less differentiated cells have been used. This work includes 3 fields: (i) Screening of chemicals and fermentation broths for their cytoinhibitory effect, to predict antineoplastic activity.
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