Results 11 to 20 of about 72,488 (267)
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 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 +3 more
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. +3 more
core +1 more source
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
core +2 more sources
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
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
core +2 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
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
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
High-throughput in-situ characterization and modelling of precipitation kinetics in compositionally graded alloys [PDF]
, 2015 The development of new engineering alloy chemistries is a time consuming and iterative process. A necessary step is characterization of the nano/microstructure to provide a link between the processing and properties of each alloy chemistry considered ...
De Geuser, F. +3 more
core +3 more sources