scholarly journals Drug-like Properties and Fraction Lipophilicity Index as a combined metric

ADMET & DMPK ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 177-190
Author(s):  
Anna Tsantili-Kakoulidou ◽  
Vassilis Demopoulos
Keyword(s):  
The Other ◽  
Degree Of Ionization ◽  
Data Set ◽  
Drug Candidates ◽  
Fraction Absorbed ◽  
Class 1

Fraction Lipophicity Index (FLI) has been developed as a composite drug-like metric combining logP and logD in a weighted manner. In the present study an extended data set confirmed the previously established drug-like FLI range 0-8 using two calculation systems for logP /logD assessment, the freeware MedChem Designer and ClogP. The dataset was split into two classes according to percentage of fraction absorbed (%FA) - class 1 including drugs with high to medium absorption levels and class 2 including poorly absorbed drugs. The FLI and FLI© (ClogP based FLI) drug-like range covers 93% and 90 % of class 1 drugs, respectively. The dependence of the degree of ionization to intrinsic lipophilicity within the FLI (FLI©) drug-like range as well as the inter-relation between the other Ro5 properties (Mw, HD, HA) was explored, so as to define drug-like / non drug-like combinations as a safer alternative to single properties for drug candidates’ prioritization. In this sense we propose a combined metric of Mw and number of polar atoms (Mw/NO) to account for both size and polarity. Setting the value 50 as  cut off, a distinct differentiation between class 1 and class 2 drugs was obtained with Mw/NO>50 for more than 70% of class 1 drugs, while the opposite was observed for class 2 drugs.

The Determinants of Capital Adequacy Ratio: The Case of the Vietnamese Banking System in the Period 2011-2015

2017 ◽  
Vol 33 (2) ◽  
Author(s):  
Ngoc Anh Nguyen
Keyword(s):  
Banking System ◽  
Precious Metals ◽  
Capital Adequacy ◽  
The Other ◽  
Total Asset ◽  
Data Set ◽  
Hand Size ◽  
Net Interest Margin ◽  
Capital Adequacy Ratio ◽  
Positive Effect

The analysis of a data set of observation for Vietnamese banks in period from 2011 - 2015 shows how Capital Adequacy Ratio (CAR) is influenced by selected factors: asset of the bank SIZE, loans in total asset LOA, leverage LEV, net interest margin NIM, loans lost reserve LLR, Cash and Precious Metals in total asset LIQ. Results indicate based on data that NIM, LIQ have significant effect on CAR. On the other hand, SIZE and LEV do not appear to have significant effect on CAR. Variables NIM, LIQ have positive effect on CAR, while variables LLR and LOA are negatively related with CAR.

scholarly journals Measurement of the D → K−π+π+π− and D → K−π+π0 coherence factors and average strong-phase differences in quantum-correlated $$ D\overline{D} $$ decays

2021 ◽  
Vol 2021 (5) ◽  
Author(s):  
M. Ablikim ◽  
◽  
M. N. Achasov ◽  
P. Adlarson ◽  
S. Ahmed ◽  
...  
Keyword(s):  
The Other ◽  
Unitarity Triangle ◽  
Quantum Superposition ◽  
Final State ◽  
Data Set ◽  
Strong Phase ◽  
Signal Decay ◽  
Belle Ii ◽  
Coherence Factors ◽  
Phase Differences

Abstract The decays D → K−π+π+π− and D → K−π+π0 are studied in a sample of quantum-correlated $$ D\overline{D} $$ D D ¯ pairs produced through the process e+e− → ψ(3770) → $$ D\overline{D} $$ D D ¯ , exploiting a data set collected by the BESIII experiment that corresponds to an integrated luminosity of 2.93 fb−1. Here D indicates a quantum superposition of a D0 and a $$ {\overline{D}}^0 $$ D ¯ 0 meson. By reconstructing one neutral charm meson in a signal decay, and the other in the same or a different final state, observables are measured that contain information on the coherence factors and average strong-phase differences of each of the signal modes. These parameters are critical inputs in the measurement of the angle γ of the Unitarity Triangle in B− → DK− decays at the LHCb and Belle II experiments. The coherence factors are determined to be RK3π = $$ {0.52}_{-0.10}^{+0.12} $$ 0.52 − 0.10 + 0.12 and $$ {R}_{K{\pi \pi}^0} $$ R K ππ 0 = 0.78 ± 0.04, with values for the average strong-phase differences that are $$ {\delta}_D^{K3\pi }=\left({167}_{-19}^{+31}\right){}^{\circ} $$ δ D K 3 π = 167 − 19 + 31 ° and $$ {\delta}_D^{K{\pi \pi}^0}=\left({196}_{-15}^{+14}\right){}^{\circ} $$ δ D K ππ 0 = 196 − 15 + 14 ° , where the uncertainties include both statistical and systematic contributions. The analysis is re-performed in four bins of the phase-space of the D → K−π+π+π− to yield results that will allow for a more sensitive measurement of γ with this mode, to which the BESIII inputs will contribute an uncertainty of around 6°.

scholarly journals Evaluating Presence/Absence of Target Microbes in Microbiological Tests

2000 ◽  
Vol 83 (6) ◽  
pp. 1429-1434
Author(s):  
Robert J Blodgett ◽  
Anthony D Hitchins
Keyword(s):  
Performance Studies ◽  
Collaborative Study ◽  
False Negative ◽  
The Other ◽  
Test Results ◽  
Logistic Curve ◽  
Microbiological Method ◽  
Test Portion ◽  
Method Performance ◽  
Data Set

Abstract A typical qualitative microbiological method performance (collaborative) study gathers a data set of responses about a test for the presence or absence of a target microbe. We developed 2 models that estimate false-positive and false-negative rates. One model assumes a constant probability that the tests will indicate the target microbe is present for any positive concentration in the test portion. The other model assumes that this probability follows a logistic curve. Test results from several method performance studies illustrate these estimates.

On the mN, M Relation for Eastern North American Earthquakes

1987 ◽  
Vol 58 (4) ◽  
pp. 119-124 ◽  
Author(s):  
Gail M. Atkinson ◽  
David M. Boore
Keyword(s):  
North America ◽  
Stochastic Model ◽  
Ground Motion ◽  
Seismic Moment ◽  
The Other ◽  
Moment Magnitude ◽  
Scaling Relations ◽  
Eastern North America ◽  
Data Set ◽  
Meaningful Data

Abstract A stochastic model of ground motion has been used as a basis for comparison of data and theoretically-predicted relations between mN (commonly denoted by mbLg) and moment magnitude for eastern North America (ENA) earthquakes. mN magnitudes are recomputed for several historical ENA earthquakes, to ensure consistency of definition and provide a meaningful data set. We show that by itself the magnitude relation cannot be used as a discriminant between two specific spectral scaling relations, one with constant stress and the other with stress increasing with seismic moment, that have been proposed for ENA earthquakes.

scholarly journals Growth of the tambaqui Colossoma macropomum (Cuvier) (Characiformes: Characidae): which is the best model?

2005 ◽  
Vol 65 (1) ◽  
pp. 129-139 ◽  
Author(s):  
M. A. H Penna ◽  
M. A Villacorta-Corrêa ◽  
T. Walter ◽  
M. Petrere-JR
Keyword(s):  
Growth Model ◽  
Negative Correlation ◽  
The Other ◽  
Data Sources ◽  
Von Bertalanffy ◽  
Data Set ◽  
Colossoma Macropomum ◽  
Von Bertalanffy Model ◽  
Estimated Parameters ◽  
Schnute Model

In order to decide which is the best growth model for the tambaqui Colossoma macropomum Cuvier, 1818, we utilized 249 and 256 length-at-age ring readings in otholiths and scales respectively, for the same sample of individuals. The Schnute model was utilized and it is concluded that the Von Bertalanffy model is the most adequate for these data, because it proved highly stable for the data set, and only slightly sensitive to the initial values of the estimated parameters. The phi' values estimated from five different data sources presented a CV = 4.78%. The numerical discrepancies between these values are of not much concern due to the high negative correlation between k and L<FONT FACE=Symbol>¥</FONT> viz, so that when one of them increases, the other decreases and the final result in phi' remains nearly unchanged.

The systematics of Raspailiidae (Demospongiae: Poecilosclerida: Microcionina) re-analysed with a ribosomal marker

2007 ◽  
Vol 87 (6) ◽  
pp. 1571-1576 ◽  
Author(s):  
Dirk Erpenbeck ◽  
Sue List-Armitage ◽  
Belinda Alvarez ◽  
Bernard M. Degnan ◽  
Gert Wörheide ◽  
...  
Keyword(s):  
Gene Tree ◽  
Morphological Characters ◽  
Character Evolution ◽  
28S Rdna ◽  
The Other ◽  
Data Set ◽  
Rdna Gene ◽  
Insight Into

We present a 28S rDNA gene tree of selected Raspailiidae, Axinellidae and other demosponges to obtain insight into raspailiid phylogeny and character evolution. The Raspailiidae in our data set cluster in a well-supported clade, distinguished from Axinellidae, Agelasida and Hadromerida. Raspailia (s.s.), Eurypon, Sollasella, Aulospongus and Ectyoplasia form a Raspailiidae clade. Some Raspailia subgenera, in particular R. (Parasyringella), are not retrieved monophyletically. Trikentrion falls into the Thrinacophorinae, and not the Cyamoninae as earlier hypothesized. The axinellid genera Ptilocaulis and Reniochalina also cluster with Raspailiidae, distant from the other Axinellidae. The suitability of particular morphological characters for raspailiid phylogeny is discussed.

scholarly journals There Is No Logical Negation Here, But There Are Alternatives: Modeling Conversational Negation with Distributional Semantics

2016 ◽  
Vol 42 (4) ◽  
pp. 637-660 ◽  
Author(s):  
Germán Kruszewski ◽  
Denis Paperno ◽  
Raffaella Bernardi ◽  
Marco Baroni
Keyword(s):  
Large Data ◽  
Semantic Space ◽  
The Other ◽  
Similarity Function ◽  
Distributional Semantics ◽  
Application Domain ◽  
Data Set ◽  
Logical Negation ◽  
The One ◽  
The Right

Logical negation is a challenge for distributional semantics, because predicates and their negations tend to occur in very similar contexts, and consequently their distributional vectors are very similar. Indeed, it is not even clear what properties a “negated” distributional vector should possess. However, when linguistic negation is considered in its actual discourse usage, it often performs a role that is quite different from straightforward logical negation. If someone states, in the middle of a conversation, that “This is not a dog,” the negation strongly suggests a restricted set of alternative predicates that might hold true of the object being talked about. In particular, other canids and middle-sized mammals are plausible alternatives, birds are less likely, skyscrapers and other large buildings virtually impossible. Conversational negation acts like a graded similarity function, of the sort that distributional semantics might be good at capturing. In this article, we introduce a large data set of alternative plausibility ratings for conversationally negated nominal predicates, and we show that simple similarity in distributional semantic space provides an excellent fit to subject data. On the one hand, this fills a gap in the literature on conversational negation, proposing distributional semantics as the right tool to make explicit predictions about potential alternatives of negated predicates. On the other hand, the results suggest that negation, when addressed from a broader pragmatic perspective, far from being a nuisance, is an ideal application domain for distributional semantic methods.

scholarly journals Configuraciones tonales de frases entonativas en enunciados aseverativos del español de la Ciudad de México

2020 ◽  
Vol 8 (2) ◽  
pp. 117-141
Author(s):  
Alberto Rodríguez Márquez
Keyword(s):  
Social Networks ◽  
Spontaneous Speech ◽  
The Other ◽  
Prosodic Features ◽  
Speech Corpus ◽  
Data Set ◽  
Other Hand ◽  
Significant Difference ◽  
Speech Data ◽  
Intonational Phrases

The objective of this paper is to describe the prosodic features of the final intonation contour of minor intonational phrases (ip) and the tonemes of major intonational phrases (IP) in Mexico City’s Spanish variety. The speech data was taken from a spontaneous speech corpus made from speakers from two social networks: neighborhood and labor. Final intonation contours of ip show a predominantly rising movement. These contours are generally produced with greater length in the last syllable of the ip, which represents the most significant difference between both networks in the case of oxitone endings. On the other hand, tonemes are predominantly descendant, although the circumflex accent has an important number of cases within the data set. Tonemes produced by the neighborhood network are produced with larger length than those from the labor network.

A Scale Structure View of Resultatives in Japanese, Chinese and German

2015 ◽  
Vol 7 (5) ◽  
pp. 1
Author(s):  
Wenchao Li
Keyword(s):  
Scale Structure ◽  
The Other ◽  
Scalar Property ◽  
Resultative Constructions ◽  
Other Hand ◽  
Class 1 ◽  
Scalar Structure ◽  
Closed Scale

<p class="1"><span lang="X-NONE">This paper provides a scale-based semantics for resultatives in Japanese, Chinese and German, in an effort to arrive at: how adjectival complements and verbs in resultative constructions show sensitivity to the scalar structure. The findings reveal that Japanese accepts both open and closed-scale adjectives but disallows atelic verbs in resultatives. It appears that both telic and atelic verbs are welcome by Chinese resultatives. Adjectival complements in German resultatives are of no diverse distribution, i.e. both open and closed-scale APs are allowed to indicate a result in inherent resultatives and derived resultatives. </span><span lang="X-NONE">However, German verbs show sensitivity to the scalar property. The conclusion that one can draw here is that Japanese tends to be a </span><span lang="X-NONE">‘BECOME-focused’ language, with the encoding of resutlatives arriving at morph-syntactic level. </span><span lang="X-NONE">German, on the other hand, is likely to be a ‘BE AT-focused’ language. There is no restriction towards adjectives, but verbs show sensitivity to the scalar structure. Chinese is also a ‘BE AT-focused’ language, with resultatives mainly facilitated via syntax. Moreover, neither verbs nor adjectives are sensitive to the scalar structure. </span></p>

scholarly journals On Making of Micoquian Bifacial Backed Tools at Pietraszyn 49a, SW Poland

2020 ◽  
Author(s):  
Andrzej Wiśniewski ◽  
Marcin Chłoń ◽  
Marcel Weiss ◽  
Katarzyna Pyżewicz ◽  
Witold Migal
Keyword(s):  
Central Europe ◽  
Narrow Range ◽  
Comprehensive Analysis ◽  
Structured Data ◽  
The Other ◽  
Upper Palaeolithic ◽  
Data Set ◽  
Sw Poland ◽  
Marine Isotope Stage 3 ◽  
Early Upper

Abstract This paper attempts to show that manufacture of Micoquian bifacial backed tools was structured. Data for this study were collected using a comprehensive analysis of artefacts from the site Pietraszyn 49a, Poland, which is dated to the beginning of Marine Isotope Stage 3. Based on the whole data set, it was possible to distinguish four stages of the manufacturing process. During manufacturing, both mineral hammer and organic hammer were used. The tools were usually shaped due to distinct hierarchization of faces. The study has also shown that the shape of bifacial tools from Pietraszyn 49a is very similar to the other Micoquian examples from central Europe. The ways of shaping of some tools are finding their counterparts also in the Early Upper Palaeolithic inventories, but the similarities are rather limited to the narrow range of preparation of bifacial form.

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