Combinatorial structures to modeling simple games and applications [PDF]
, 2017 We connect three different topics: combinatorial structures, game theory and chemistry. In particular, we establish the bases to represent some simple games, defined as influence games, and molecules, defined from atoms, by using combinatorial structures.
Molinero Albareda, Xavier
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Combinatorial structures to construct simple games and molecules [PDF]
, 2017 We connect three different topics: combinatorial structures, game theory and chemistry. In particular, we establish the bases to represent some simple games, defined as influence games, and molecules, defined from atoms, by using ...
Molinero Albareda, Xavier
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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.
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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 +75 more
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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
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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. +3 more
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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.
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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. +7 more
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Exploring chemical space and structural diversity of supramolecular peptide materials
Supramolecular Materials, 2023 Searching chemical space and expanding the structural diversity of supramolecular self-assembly based on the development of combinatorial libraries is significant to the guided design of bio-inspired materials.
Mengyue Zhu, Jing Chen, Yiyang Lin
doaj
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 +3 more
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