scholarly journals Molecular Modeling in Drug Design

Molecules ◽  
2019 ◽  
Vol 24 (2) ◽  
pp. 321 ◽  
Author(s):  
Rebecca Wade ◽  
Outi Salo-Ahen
Keyword(s):  
Molecular Modeling ◽  
Drug Design ◽  
State Of The Art ◽  
The State ◽  
Special Issue ◽  
Recent Advances

This Special Issue contains thirteen articles that provide a vivid snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges [...]

scholarly journals Recent Advances in Mathematical Aspects of Engineering

Symmetry ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 811
Author(s):  
Rahmat Ellahi ◽  
Sadiq M. Sait ◽  
Huijin Xu
Keyword(s):  
State Of The Art ◽  
Experimental Studies ◽  
The State ◽  
Original Research ◽  
Theoretical Studies ◽  
Special Issue ◽  
Mathematical Methods ◽  
Recent Advances ◽  
Engineering Problems ◽  
Research Findings

This special issue took this opportunity to invite researchers to contribute their latest original research findings, review articles, and short communications on advances in the state of the art of mathematical methods, theoretical studies, or experimental studies that extend the bounds of existing methodologies to new contributions addressing current challenges and engineering problems on “Recent Advances in Mathematical Aspects of Engineering” to be published in Symmetry.

AutoLinker: Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

2020 ◽  
Author(s):  
Yuyao Yang ◽  
Shuangjia Zheng ◽  
Shimin Su ◽  
Jun Xu ◽  
Hongming Chen
Keyword(s):  
Neural Networks ◽  
Drug Discovery ◽  
Drug Design ◽  
State Of The Art ◽  
The State ◽  
Generative Model ◽  
Lead Optimization ◽  
Scaffold Hopping ◽  
Reference Models ◽  
Lead Generation

Fragment based drug design represents a promising drug discovery paradigm complimentary to the traditional HTS based lead generation strategy. How to link fragment structures to increase compound affinity is remaining a challenge task in this paradigm. Hereby a novel deep generative model (AutoLinker) for linking fragments is developed with the potential for applying in the fragment-based lead generation scenario. The state-of-the-art transformer architecture was employed to learn the linker grammar and generate novel linker. Our results show that, given starting fragments and user customized linker constraints, our AutoLinker model can design abundant drug-like molecules fulfilling these constraints and its performance was superior to other reference models. Moreover, several examples were showcased that AutoLinker can be useful tools for carrying out drug design tasks such as fragment linking, lead optimization and scaffold hopping.

scholarly journals Recent advances in understanding oxygen evolution reaction mechanisms over iridium oxide

2021 ◽  
Author(s):  
Takahiro Naito ◽  
Tatsuya Shinagawa ◽  
Takeshi Nishimoto ◽  
Kazuhiro Takanabe
Keyword(s):  
Reaction Mechanism ◽  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Reaction Mechanisms ◽  
State Of The Art ◽  
Iridium Oxide ◽  
The State ◽  
Computational Studies ◽  
Recent Advances ◽  
Iridium Oxides

Recent spectroscopic and computational studies concerning the oxygen evolution reaction over iridium oxides are reviewed to provide the state-of-the-art understanding of its reaction mechanism.

scholarly journals Introduction

1990 ◽  
Vol 30 (4) ◽  
pp. 487-492 ◽  
Author(s):  
Carl F. Kaestle
Keyword(s):  
State Of The Art ◽  
History Of Education ◽  
The State ◽  
Special Issue ◽  
Research Papers ◽  
History Of

The History of Education Quarterly has done it again. Despite many scholars' previous attempts to summarize the state of the art in historical studies of literacy, this special issue will now be the best, up-to-date place for a novice to start. It should be required reading for everyone interested in this subfield. The editors have enlisted an impressive roster of prominent scholars in the field, and these authors have provided us with an excellent array of synthetic reviews, methodological and theoretical discussions, and exemplary research papers.

Lexicography

2018 ◽  
Author(s):  
Seyed Mostafa Assi
Keyword(s):  
Information Technology ◽  
State Of The Art ◽  
Applied Linguistics ◽  
The State ◽  
Western Countries ◽  
Persian Language ◽  
Recent Advances ◽  
History Of ◽  
Middle Persian ◽  
Modern Era

The history of lexicography in Iran dates back to more than 2,000 years ago, to the time of the compilation of bilingual and monolingual lexicons for the Middle Persian language. After a review of the long and rich tradition of Persian lexicography, the chapter gives an account of the state of the art in the modern era by describing recent advances and developments in this field. During the last three or four decades, in line with the advancements in western countries, Iranian lexicography evolved from its traditional state into a modern professional and academic activity trying to improve the form and content of dictionaries by implementing the following factors: the latest achievements in theoretical and applied linguistics related to lexicography; and the computer techniques and information technology and corpus-based approach to lexicography.

scholarly journals Overview: Tropospheric profiling: state of the art and future challenges – introduction to the AMT special issue

2014 ◽  
Vol 7 (9) ◽  
pp. 2981-2986 ◽  
Author(s):  
D. Cimini ◽  
V. Rizi ◽  
P. Di Girolamo ◽  
F. S. Marzano ◽  
A. Macke ◽  
...  
Keyword(s):  
International Symposium ◽  
Technology Development ◽  
State Of The Art ◽  
Measurement Techniques ◽  
Special Issue ◽  
Recent Advances ◽  
Future Challenges ◽  
Atmospheric Measurement

Abstract. This paper introduces the Atmospheric Measurement Techniques special issue on tropospheric profiling, which was conceived to host full papers presenting the results shown at the 9th International Symposium on Tropospheric Profiling (ISTP9). ISTP9 was held in L'Aquila (Italy) from 3 to 7 September 2012, bringing together 150 scientists representing of 28 countries and 3 continents. The tropospheric profiling special issue collects the highlights of ISTP9, reporting recent advances and future challenges in research and technology development.

Sign in / Sign up

Export Citation Format

Share Document