Results 11 to 20 of about 72,837 (274)

Development of Advanced Macrosphelides: Potent Anticancer Agents

Molecules, 2015
Synthetic approaches to macrosphelide derivatives, based on medicinal chemistry, are summarized. This review contains conventional medicinal chemistry approaches, combinatorial chemistry, fluorous tagging techniques and affinity chromatography ...
Seung-Mann Paek
doaj   +1 more source

Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance [PDF]

, 2011
This paper reviews the use of measures of intermolecular similarity for processing databases of chemical structures, which play an important role in the discovery of new drugs by the pharmaceutical industry.
Willett, P.
core   +1 more source

Library Design

CHIMIA, 2003
This review aims at giving a short introduction to the most important areas of library design. The description of compounds by descriptors and fingerprints, and similarity-based clustering techniques are illustrated in the context of untargeted ...
Friederike Stoll
doaj   +1 more source

Química combinatória de materiais com análise por microdifração de raios X. Primeira parte: fundamentos Combinatorial chemistry of materials with analysis by X-ray microdiffraction. Part I: fundamentals

Química Nova, 2005
Combinatorial chemistry refers to techniques to rapidly fabricate tens, hundreds or even thousands of different micro samples. The analysis of the large number of samples generated by combinatorial methods requires highly efficient analytical methods. In
Najla Maroun Estrada, Francisco Manoel dos Santos Garrido, Marta Eloisa Medeiros, Sérgio de Paula Machado   +3 more
doaj   +1 more source

Visual and computational analysis of structure-activity relationships in high-throughput screening data [PDF]

, 2001
Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent
Agrafiotis, Agrafiotis, Ahlberg, Ajay, Ajay, Bayada, Bemis, Bernard, Bonabeau, Brown, Calvert, Card, Chen, Chen, Cho, Christianini, Clark, Clark, Cox, Duda, Edwards, Engels, Frimurer, Gao, Garrido, Ghose, Gillet, Gillet, Hand, Hann, Haupts, Hayward, Hertzberg, Izrailev, Jiang, Jones-Hertzog, Kirew, Kobayashi, Kohonen, Ladd, Lee, Lepre, Martin, Mason, Mello, Meyer, Miller, Mitchell, Oprea, Peter Gedeck, Peter Willett, Poroikov, Rhodes, Roberts, Roberts, Ros, Rusinko, Sadowski, Sadowski, Scherf, Sheridan, Shi, Stanton, Su, Teague, Thompson, Tropsha, Tufte, Tufte, Wagener, Walters, Wang, Wedin, Xie, Xu, Zupan   +75 more
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Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis [PDF]

, 2003
This paper reviews the work of the Chemoinformatics Research Group in the Department of Information Studies at the University of Sheffield, focusing particularly on the work carried out in the period 1985-2002.
Bishop, N., Gillet, V.J., Holliday, J.D., Willett, P.   +3 more
core   +1 more source

Computational Enumeration of Colorings of Hyperplanes of Hypercubes for all Irreducible Representations and Applications

Journal of Mathematical Sciences and Modelling, 2018
We obtain the generating functions for the combinatorial enumeration of colorings of all hyperplanes of hypercubes for all irreducible representations of the hyperoctahedral groups.
Krishnan Balasubramanian
doaj   +1 more source

Similarity-based virtual screening using 2D fingerprints [PDF]

, 2006
This paper summarises recent work at the University of Sheffield on virtual screening methods that use 2D fingerprint measures of structural similarity. A detailed comparison of a large number of similarity coefficients demonstrates that the well-known ...
Willett, P.
core   +1 more source

Quantum dot-labelled polymer beads by suspension polymerisation [PDF]

, 2003
CdSe quantum dots with polymerisable ligands have been incorporated into polystyrene beads, via a suspension polymerisation reaction, as a first step towards the optical encoding of solid supports for application in solid phase organic ...
Cummins, Siobhan S., Darcy, Dan, Dearden, Angela, Masala, Ombretta, O'Brien, Paul, Pickett, Nigel L., Ryley, Steve, Sutherland, Andrew J.   +7 more
core   +2 more sources

Nonlocal, noncommutative diagrammatics and the linked cluster Theorems [PDF]

, 2011
Recent developments in quantum chemistry, perturbative quantum field theory, statistical physics or stochastic differential equations require the introduction of new families of Feynman-type diagrams. These new families arise in various ways.
Brouder, Christian, Frédéric, Patras
core   +3 more sources