Search results for "Library"
showing 10 items of 3069 documents
Similarity boosted quantitative structure-activity relationship--a systematic study of enhancing structural descriptors by molecular similarity.
2013
The concept of molecular similarity is one of the most central in the fields of predictive toxicology and quantitative structure-activity relationship (QSAR) research. Many toxicological responses result from a multimechanistic process and, consequently, structural diversity among the active compounds is likely. Combining this knowledge, we introduce similarity boosted QSAR modeling, where we calculate molecular descriptors using similarities with respect to representative reference compounds to aid a statistical learning algorithm in distinguishing between different structural classes. We present three approaches for the selection of reference compounds, one by literature search and two by…
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
2015
Telomeres and telomerase are key players in tumorogenesis. Among the various strategies proposed for telomerase inhibition or telomere uncapping, the stabilization of telomeric G-quadruplex (G4) structures is a very promising one. Additionally, G4 stabilizing ligands also act over tumors mediated by the alternative elongation of telomeres. Accordingly, the discovery of novel compounds able to act on telomeres and/or inhibit the telomerase enzyme by stabilizing DNA telomeric G4 structures as well as the development of approaches efficiently prioritizing such compounds constitute active areas of research in computational medicinal chemistry and anticancer drug discovery. In this direction, we…
Matrix Computations for the Dynamics of Fermionic Systems
2013
In a series of recent papers we have shown how the dynamical behavior of certain classical systems can be analyzed using operators evolving according to Heisenberg-like equations of motions. In particular, we have shown that raising and lowering operators play a relevant role in this analysis. The technical problem of our approach stands in the difficulty of solving the equations of motion, which are, first of all, {\em operator-valued} and, secondly, quite often nonlinear. In this paper we construct a general procedure which significantly simplifies the treatment for those systems which can be described in terms of fermionic operators. The proposed procedure allows to get an analytic solut…
Search for scalar leptoquarks from Z$^0$ decays
1992
We have searched for pair produced scalar leptoquarks each decaying to a quark and a charged lepton in a sample of 116 000 hadronic Z0 events produced at LEP. No candidate was detected and cross section and branching ratio limits are set for the above process at 95% CL. Mass limits are found to be about 42 GeV/c2 depending only slightly on the models used and a coupling times branching ratio exclusion line is drawn for a scalar leptoquark with a free coupling. We have also probed the mass region above 45 GeV/c2 for a singly produced scalar leptoquark and set limits on the cross section and the coupling lambda(2)/4-pi up to 60 GeV.
Science and Technology Policies: a tale of political use, misuse and abuse of traditional R&D indicators
2009
6 tables, 2 figures, 18 pages
El perfil de aplicación de RDA para monografías antiguas de la Biblioteca Nacional de España
2023
La Biblioteca Nacional de España ha trabajado activamente en la adaptación de RDA a la descripción del libro antiguo desde el año 2015, hasta poder afrontar finalmente desde el año 2020 el paso definitivo: la redacción del perfil de aplicación de RDA para monografías antiguas de la BNE. Este trabajo ha permitido identificar los principales retos de esta aplicación, así como aprovechar las oportunidades que ofrece al catalogador de libro antiguo. Entre los aspectos más novedosos se cuentan instrucciones destinadas a la transcripción, al uso de las menciones de publicación, distribución y fabricación, así como al desarrollo de las relaciones a nivel de manifestación que permitirán por primera…
ESCR Review: Citizenship and Politics
2020
This chapter describes the analyses and results for the ESRC Domain of Citizenship and Politics, guided by two main questions: How digital technology impacts on our autonomy, agency, and privacy; Whether and how our understanding of citizenship is evolving in the digital age. It first provides an initial overview of the major insights from the literature review and analysis, the Delphi surveys, and workshop discussions about the relevant range of the concepts of citizenship and politics in a digital age. Over time the literature shows a shift from issues of public sphere and use of the Internet by government and candidates to more focus on political participation and engagement, especially …
Mechanism change in a simulation of peer review: from junk support to elitism
2014
Abstract Peer review works as the hinge of the scientific process, mediating between research and the awareness/acceptance of its results. While it might seem obvious that science would regulate itself scientifically, the consensus on peer review is eroding; a deeper understanding of its workings and potential alternatives is sorely needed. Employing a theoretical approach supported by agent-based simulation, we examined computational models of peer review, performing what we propose to call redesign, that is, the replication of simulations using different mechanisms. Here, we show that we are able to obtain the high sensitivity to rational cheating that is present in literature. In additio…
Les cultures de sciences en Europe : dispositifs. Quelles actions, quelles recherches, quelles recherches-actions, quelles actions-recherches ?
2012
International audience
The influence of Elfreda Chatman's theories: a citation context analysis
2018
The range of theoretical frameworks currently being used by researchers into information behaviour is abundant and diverse. We need to examine thoroughly the contribution of theories and models to further research, as this would help to improve future investigations in the field. This paper adopts this approach, by thoroughly examining the influence that Elfreda Chatman's three middle-range theories have had on subsequent research. A citation context analysis was carried out on the basis of those received by Information poverty theory, life in the round theory and normative behaviour theory. Analysis covered the year of publication, the type of work and the subject-matter of the citing docu…