Structure and Stability Prediction of Compounds with Evolutionary Algorithms

Author(s):  
Benjamin C. Revard ◽  
William W. Tipton ◽  
Richard G. Hennig
2020 ◽  
Vol 2020 (1) ◽  
pp. 105-108
Author(s):  
Ali Alsam

Vision is the science that informs us about the biological and evolutionary algorithms that our eyes, opticnerves and brains have chosen over time to see. This article is an attempt to solve the problem of colour to grey conversion, by borrowing ideas from vision science. We introduce an algorithm that measures contrast along the opponent colour directions and use the results to combine a three dimensional colour space into a grey. The results indicate that the proposed algorithm competes with the state of art algorithms.


1996 ◽  
Author(s):  
Kuang-Hua Chang ◽  
Xiaoming Yu ◽  
Kyung Choi

2019 ◽  
Author(s):  
Anders Andreasen

In this article the optimization of a realistic oil and gas separation plant has been studied. Two different fluids are investigated and compared in terms of the optimization potential. Using Design of Computer Experiment (DACE) via Latin Hypercube Sampling (LHS) and rigorous process simulations, surrogate models using Kriging have been established for selected model responses. The surrogate models are used in combination with a variety of different evolutionary algorithms for optimizing the operating profit, mainly by maximizing the recoverable oil production. A total of 10 variables representing pressure and temperature various key places in the separation plant are optimized to maximize the operational profit. The optimization is bounded in the variables and a constraint function is included to ensure that the optimal solution allows export of oil with an RVP < 12 psia. The main finding is that, while a high pressure is preferred in the first separation stage, apparently a single optimal setting for the pressure in downstream separators does not appear to exist. In the second stage separator apparently two different, yet equally optimal, settings are revealed. In the third and final separation stage a correlation between the separator pressure and the applied inlet temperature exists, where different combinations of pressure and temperature yields equally optimal results.<br>


2011 ◽  
Vol 34 (5) ◽  
pp. 801-811 ◽  
Author(s):  
Han HUANG ◽  
Zhi-Yong LIN ◽  
Zhi-Feng HAO ◽  
Yu-Shan ZHANG ◽  
Xue-Qiang LI

Author(s):  
Rohan Aggarwal ◽  
Monika Targhotra ◽  
Bhumika Kumar ◽  
P.K Sahoo ◽  
Meenakshi K Chauhan

In the past few years gene delivery system has gained a huge attention owing to its proved efficacy in several diseases especially in those caused by genetic and/oroncological malfunctioning. The effective gene delivery mainly depends on the carrier molecules that can ensure the safe and specific delivery of the nucleic acidmolecules. Viral vectors have been used for a longer period as the gene transfer vehicle. However, these viral vectors have potential immunological disadvantages that made them less preferred. Recently, non-viral vectors such as polyplexes have emerged as a promising alternative for viral vectors. Polyplexes are formed by conjugating a polymer with DNA and in maximum cases the cationic polymers are preferred over others. The structure and stability of the polyplexes depends on various factors. The ability of the polymer to condense the DNA mainly dictates the efficiency of the polyplex mediated transfection. In this review we are going to provide a framework for the synthesis and design of the polyplexes along with the structure and stability of the complexes pertaining to mechanism of action, characterization and therapeutic application, including polyethyleneimine mediated cytotoxicity as well as newer strategies for the generation of better polyplexes.


Sign in / Sign up

Export Citation Format

Share Document