Search results for "applicability"
showing 10 items of 14 documents
Computational Methods in Developing Quantitative Structure-Activity Relationships (QSAR): A Review
2006
Virtual filtering and screening of combinatorial libraries have recently gained attention as methods complementing the high-throughput screening and combinatorial chemistry. These chemoinformatic techniques rely heavily on quantitative structure-activity relationship (QSAR) analysis, a field with established methodology and successful history. In this review, we discuss the computational methods for building QSAR models. We start with outlining their usefulness in high-throughput screening and identifying the general scheme of a QSAR model. Following, we focus on the methodologies in constructing three main components of QSAR model, namely the methods for describing the molecular structure …
Antropologija kao nužno odučavanje. Primjeri iz kampova, sudnica, škola i poduzeća
2017
U ovom radu istražujem poteškoće do kojih dolazi u pokušajima komunikacije preko kulturnih granica. Oslanjam se na svoj terenski rad u različitim sredinama u Istočnoj i Srednjoj Europi – u izbjegličkim kampovima, sudnicama, školama i poduzećima – u kojem sam zaključila da komunikacija najbolje funkcionira kada se uspostavi povjerenje, a korak koji je potreban da bi do toga došlo je na obje strane naučiti kako odučiti duboko ukorijenjene pretpostavke. Rad započinje raspravom o rasnim i etničkim stereotipima, u kojoj se oslanjam na niz uvida iz evolucijske psihologije i kognitivne znanosti. Zatim se okrećem mitovima o pamćenju te predlažem kako primijeniti najnovija otkrića specijaliziranih i…
Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices
2012
In this paper, the authors present an effort to increase the applicability domain (AD) by means of retraining models using a database of 701 great dissimilar molecules presenting anti-tyrosinase activity and 728 drugs with other uses. Atom-based linear indices and best subset linear discriminant analysis (LDA) were used to develop individual classification models. Eighteen individual classification-based QSAR models for the tyrosinase inhibitory activity were obtained with global accuracy varying from 88.15-91.60% in the training set and values of Matthews correlation coefficients (C) varying from 0.76-0.82. The external validation set shows globally classifications above 85.99% and 0.72 fo…
La norma di riconoscimento come ideologia delle fonti
2015
The essay argues that the rule of recognition, as it has been conceived by H. L. A. Hart, is either a redundant, and hence mostly useless, concept, or it is a concept with limited explanatory potential - in either case, at best a concept whose scope is much narrower, in contemporary legal systems, than the one envisaged by Hart. It will also be argued that the rule of recognition, if subject to a possible (and plausible) reformulation, can nevertheless play a significant, non-redundant role. This, however, will require to assign the rule of recognition a rather different job than the one proposed by Hart, as well as by most post-Hartian positivist literature, namely it will require to locat…
Difetto del nesso causale e manifesta insussistenza del fatto nel licenziamento per giustificato motivo oggettivo
2021
Con la sentenza n. 16253/2020 la Suprema Corte ha affermato che l’assenza di nesso causale tra la cessazione di un appalto e il licenziamento del lavoratore integra un’ipotesi di manifesta insussistenza del fatto posto alla base del licenziamento - con conseguente applicabilità della tutela reintegratoria attenuta di cui all’art. 18, comma 5, della legge n. 300/1970 - non riconducibile, pertanto, agli altri casi in cui il giudice dichiara risolto il rapporto concedendo la sola tutela indennitaria forte (da dodici a ventiquattro mensilità).
Solution of the Lindblad equation in Kraus representation
2006
The so-called Lindblad equation, a typical master equation describing the dissipative quantum dynamics, is shown to be solvable for finite-level systems in a compact form without resort to writing it down as a set of equations among matrix elements. The solution is then naturally given in an operator form, known as the Kraus representation. Following a few simple examples, the general applicability of the method is clarified.
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
2008
Predictive quantitative structure-activity relationship (QSAR) models of anabolic and androgenic activities for the testosterone and dihydrotestosterone steroid analogues were obtained by means of multiple linear regression using quantum and physicochemical molecular descriptors (MD) as well as a genetic algorithm for the selection of the best subset of variables. Quantitative models found for describing the anabolic (androgenic) activity are significant from a statistical point of view: R2 of 0.84 (0.72 and 0.70). A leave-one-out cross-validation procedure revealed that the regression models had a fairly good predictability [q2 of 0.80 (0.60 and 0.59)]. In addition, other QSAR models were …
A comparative assessment of energy demand and life cycle costs for additive- and subtractive-based manufacturing approaches
2020
Abstract The applicability domain of Additive Manufacturing (AM) processes, apart from technological and quality results, relies on environmental and cost performance. These aspects still need to be better understood. To this aim, comparative analyses with conventional manufacturing routes are needed. In this paper, empirical cost and energy requirement models are suggested to assess subtractive- (machining) and additive- (Electron Beam Melting) based manufacturing approaches for the production of Ti-6Al-4V components. A life-cycle perspective is adopted, and all the steps from the input material production to the post-AM processing operations and the use phase are included. The analyses ha…
Modeling Chronic Toxicity: A Comparison of Experimental Variability With (Q)SAR/Read-Across Predictions
2018
This study compares the accuracy of (Q)SAR/read-across predictions with the experimental variability of chronic lowest-observed-adverse-effect levels (LOAELs) from in vivo experiments. We could demonstrate that predictions of the lazy structure-activity relationships (lazar) algorithm within the applicability domain of the training data have the same variability as the experimental training data. Predictions with a lower similarity threshold (i.e., a larger distance from the applicability domain) are also significantly better than random guessing, but the errors to be expected are higher and a manual inspection of prediction results is highly recommended.
Farewell to the Rule of Recognition?
2011
Resumen:En este articulo se argumenta que la regla de reconocimiento, tal comofuera concebida por Hart, es o bien un concepto redundante —y en consecuenciainutil— o un concepto limitado en su poder explicativo. Encualquier caso, se trata de un concepto cuyo alcance es, frente a los sistemasjuridicos contemporaneos, mucho mas estrecho de lo que Hartpudo imaginar. De igual modo se argumenta que la regla de reconocimiento,en alguna de sus posibles (y plausibles) reformulaciones, puedetener a pesar de todo un papel significativo y no redundante, pero solamentesi se emplea en un sentido radicalmente distinto al que propusoHart o que se propone en buena parte de la literatura positivista posthart…