Results 21 to 30 of about 436,297 (318)
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
Library Design in Combinatorial Chemistry by Monte Carlo Methods [PDF]
Phys. Rev. E 61 (2000) 5948-5952, 2000 Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced. The search strategies, derived by analogy with the computer modeling technique of Monte Carlo, effectively search the variable space even in combinatorial chemistry ...
arxiv +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. +3 more
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Chemical Society Reviews, 2015 Dynamic combinatorial chemistry (DCC) has emerged as a powerful strategy to identify ligands for biological targets given that it enables the target to direct the synthesis and amplification of its strongest binder(s) from the library of interconverting ...
M. Mondal, A. Hirsch
semanticscholar +1 more source
Synthesis and Characterization of the Ternary Nitride Semiconductor Zn$_2$VN$_3$: Theoretical Prediction, Combinatorial Screening and Epitaxial Stabilization [PDF]
, 2021 Computationally guided high-throughput synthesis is used to explore the Zn-V-N phase space, resulting in the synthesis of a novel ternary nitride Zn$_2$VN$_3$. Following a combinatorial PVD screening, we isolate the phase and synthesize polycrystalline Zn$_2$VN$_3$ thin films with wurtzite structure on conventional borosilicate glass substrates.
arxiv +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.
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Recent developments in chemoinformatics education [PDF]
, 2001 Chemoinformatics techniques are increasingly being used to analyse the huge volumes of chemical and biological data resulting from combinatorial synthesis and high-throughput screening programmes.
Brown +6 more
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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
doaj +1 more source
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
Algorithmic techniques for finding resistance distances on structured graphs [PDF]
arXiv, 2021 In this paper we give a survey of methods used to calculate values of resistance distance (also known as effective resistance) in graphs. Resistance distance has played a prominent role not only in circuit theory and chemistry, but also in combinatorial matrix theory and spectral graph theory.
arxiv