High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation

2016 ◽  
Vol 120 (42) ◽  
pp. 24224-24230 ◽  
Author(s):  
Byung Chul Yeo ◽  
Donghun Kim ◽  
Hyungjun Kim ◽  
Sang Soo Han
Keyword(s):  
Porous Materials ◽  
High Throughput ◽  
High Throughput Screening ◽  
Working Capacity ◽  
Adsorptive Separation ◽  
The Relationship

scholarly journals On the Relationship between Molecular Hit Rates in High-Throughput Screening and Molecular Descriptors

2013 ◽  
Vol 19 (5) ◽  
pp. 727-737 ◽  
Author(s):  
Mari Hansson ◽  
John Pemberton ◽  
Ola Engkvist ◽  
Isabella Feierberg ◽  
Lars Brive ◽  
...  
Keyword(s):  
High Throughput ◽  
Statistical Models ◽  
High Throughput Screening ◽  
Molecular Descriptors ◽  
Heavy Atom ◽  
Model Quality ◽  
Hit Rate ◽  
Statistic Model ◽  
A Minor ◽  
The Relationship

High-throughput screening (HTS) is widely used in the pharmaceutical industry to identify novel chemical starting points for drug discovery projects. The current study focuses on the relationship between molecular hit rate in recent in-house HTS and four common molecular descriptors: lipophilicity (ClogP), size (heavy atom count, HEV), fraction of sp3-hybridized carbons (Fsp3), and fraction of molecular framework ( fMF). The molecular hit rate is defined as the fraction of times the molecule has been assigned as active in the HTS campaigns where it has been screened. Beta-binomial statistical models were built to model the molecular hit rate as a function of these descriptors. The advantage of the beta-binomial statistical models is that the correlation between the descriptors is taken into account. Higher degree polynomial terms of the descriptors were also added into the beta-binomial statistic model to improve the model quality. The relative influence of different molecular descriptors on molecular hit rate has been estimated, taking into account that the descriptors are correlated to each other through applying beta-binomial statistical modeling. The results show that ClogP has the largest influence on the molecular hit rate, followed by Fsp3 and HEV. fMF has only a minor influence besides its correlation with the other molecular descriptors.

scholarly journals High-throughput screening of metal–organic frameworks for kinetic separation of propane and propene

2020 ◽  
Vol 22 (40) ◽  
pp. 23073-23082
Author(s):  
Yohanes Pramudya ◽  
Satyanarayana Bonakala ◽  
Dmytro Antypov ◽  
Prashant M. Bhatt ◽  
Aleksander Shkurenko ◽  
...  
Keyword(s):  
Porous Materials ◽  
High Throughput ◽  
High Throughput Screening ◽  
Metal Organic Frameworks ◽  
Separation Of Gases ◽  
Metal Organic ◽  
Kinetic Separation

We report the first screening workflow that identifies flexible porous materials suitable for kinetic separation of gases.

scholarly journals High-throughput screening: speeding up porous materials discovery

2011 ◽  
Vol 47 (18) ◽  
pp. 5151 ◽  
Author(s):  
Philipp Wollmann ◽  
Matthias Leistner ◽  
Ulrich Stoeck ◽  
Ronny Grünker ◽  
Kristina Gedrich ◽  
...  
Keyword(s):  
Porous Materials ◽  
High Throughput ◽  
High Throughput Screening

scholarly journals Transferring Industrial Automation Technology to the Laboratory

2002 ◽  
Vol 7 (2) ◽  
pp. 84-88
Author(s):  
David Harding ◽  
David Bradford ◽  
Gavin Brown
Keyword(s):  
Mobile Phone ◽  
High Throughput ◽  
High Throughput Screening ◽  
Real Data ◽  
Improve Performance ◽  
The Past ◽  
Machine Configuration ◽  
The Many ◽  
Automation Technology ◽  
The Relationship

Over the past few years, there has been much discussion about transferring industrial technology to laboratories. While it is easy to look at the superficial similarities, it is more important to examine the different requirements of different industries. In this way, it is possible to identify the technologies and techniques that can be successfully transferred to the laboratory to improve performance. This paper takes three very different industries — the bakery, High Throughput Screening (HTS) and mobile phone assembly and examines their different requirements. These industries have been selected from among the many sectors where the RTS Group operates — thus allowing real data from a number of situations to be used. One of the most important areas in automation design is the relationship between flexibility and throughput. This paper focuses on this relationship and its influence over machine configuration when comparing the requirements of the different industries.

High-throughput screening program for botanical extracts

Planta Medica ◽  
2012 ◽  
Vol 78 (11) ◽  
Author(s):  
L Hingorani ◽  
NP Seeram ◽  
B Ebersole
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Screening Program ◽  
Botanical Extracts

High throughput screening of microbial biodiversity for the discovery of novel cosmeceutical agents

Planta Medica ◽  
2015 ◽  
Vol 81 (16) ◽  
Author(s):  
K Georgousaki ◽  
N DePedro ◽  
AM Chinchilla ◽  
N Aliagiannis ◽  
F Vicente ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Microbial Biodiversity

High throughput screening to investigate Brazilian Cerrado biome plant extract bank chemical diversity

Planta Medica ◽  
2016 ◽  
Vol 81 (S 01) ◽  
pp. S1-S381
Author(s):  
LS Espindola ◽  
RG Dusi ◽  
KR Gustafson ◽  
J McMahon ◽  
JA Beutler
Keyword(s):  
High Throughput ◽  
Plant Extract ◽  
High Throughput Screening ◽  
Chemical Diversity ◽  
Brazilian Cerrado ◽  
Cerrado Biome

High-throughput screening revealed a clinically relevant drug to induce sperm motility

2014 ◽  
Author(s):  
Clair Cochrane ◽  
Halil Ruso ◽  
Anthony Hope ◽  
Rosemary G Clarke ◽  
Christopher Barratt ◽  
...  
Keyword(s):  
Sperm Motility ◽  
High Throughput ◽  
High Throughput Screening
Sign in / Sign up

Export Citation Format

Share Document