Results 21 to 30 of about 73,416 (270)

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
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

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

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

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

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

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   +5 more sources

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

Combinatiorial method for surface-confined sensor desing and fabrication [PDF]

, 2005
The procedure for the combinatorial fabrication of new sensing materials for cations and anions based on self-assembled monolayers (SAM) is discussed. A library of different sensitive substrates is generated by sequential deposition of fluorophores and ...
Basabe Desmonts, Lourdes, Crego-Calama, Mercedes, Reinhoudt, David N., Zimmerman, Rebecca S.   +3 more
core   +3 more sources

Versatile Monitoring Tools in Parallel Solid-Phase Synthesis

CHIMIA, 2003
Parallel synthesis on solid-phase is routinely applied in our combinatorial chemistry efforts for lead finding and lead optimization in drug discovery.
Eduard R. Felder, Katia Martina, Simona Scarpella, Marco Tatò   +3 more
doaj   +1 more source