Computer-Aided Molecular Design Using Neural Networks and Genetic Algorithms

Author(s):  
V. VENKATASUBRAMANIAN ◽  
A. SUNDARAM ◽  
K. CHAN ◽  
J.M. CARUTHERS
1994 ◽  
Vol 18 (9) ◽  
pp. 833-844 ◽  
Author(s):  
V. Venkatasubramanian ◽  
K. Chan ◽  
J.M. Caruthers

2012 ◽  
Vol 17 (4) ◽  
pp. 241-244
Author(s):  
Cezary Draus ◽  
Grzegorz Nowak ◽  
Maciej Nowak ◽  
Marcin Tokarski

Abstract The possibility to obtain a desired color of the product and to ensure its repeatability in the production process is highly desired in many industries such as printing, automobile, dyeing, textile, cosmetics or plastics industry. So far, most companies have traditionally used the "manual" method, relying on intuition and experience of a colorist. However, the manual preparation of multiple samples and their correction can be very time consuming and expensive. The computer technology has allowed the development of software to support the process of matching colors. Nowadays, formulation of colors is done with appropriate equipment (colorimeters, spectrophotometers, computers) and dedicated software. Computer-aided formulation is much faster and cheaper than manual formulation, because fewer corrective iterations have to be carried out, to achieve the desired result. Moreover, the colors are analyzed with regard to the metamerism, and the best recipe can be chosen, according to the specific criteria (price, quantity, availability). Optimaization problem of color formulation can be solved in many diferent ways. Authors decided to apply genetic algorithms in this domain.


2012 ◽  
Vol 9 (2) ◽  
pp. 53-57 ◽  
Author(s):  
O.V. Darintsev ◽  
A.B. Migranov

The main stages of solving the problem of planning movements by mobile robots in a non-stationary working environment based on neural networks, genetic algorithms and fuzzy logic are considered. The features common to the considered intellectual algorithms are singled out and their comparative analysis is carried out. Recommendations are given on the use of this or that method depending on the type of problem being solved and the requirements for the speed of the algorithm, the quality of the trajectory, the availability (volume) of sensory information, etc.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
A. Wong ◽  
Z. Q. Lin ◽  
L. Wang ◽  
A. G. Chung ◽  
B. Shen ◽  
...  

AbstractA critical step in effective care and treatment planning for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the cause for the coronavirus disease 2019 (COVID-19) pandemic, is the assessment of the severity of disease progression. Chest x-rays (CXRs) are often used to assess SARS-CoV-2 severity, with two important assessment metrics being extent of lung involvement and degree of opacity. In this proof-of-concept study, we assess the feasibility of computer-aided scoring of CXRs of SARS-CoV-2 lung disease severity using a deep learning system. Data consisted of 396 CXRs from SARS-CoV-2 positive patient cases. Geographic extent and opacity extent were scored by two board-certified expert chest radiologists (with 20+ years of experience) and a 2nd-year radiology resident. The deep neural networks used in this study, which we name COVID-Net S, are based on a COVID-Net network architecture. 100 versions of the network were independently learned (50 to perform geographic extent scoring and 50 to perform opacity extent scoring) using random subsets of CXRs from the study, and we evaluated the networks using stratified Monte Carlo cross-validation experiments. The COVID-Net S deep neural networks yielded R$$^2$$ 2 of $$0.664 \pm 0.032$$ 0.664 ± 0.032 and $$0.635 \pm 0.044$$ 0.635 ± 0.044 between predicted scores and radiologist scores for geographic extent and opacity extent, respectively, in stratified Monte Carlo cross-validation experiments. The best performing COVID-Net S networks achieved R$$^2$$ 2 of 0.739 and 0.741 between predicted scores and radiologist scores for geographic extent and opacity extent, respectively. The results are promising and suggest that the use of deep neural networks on CXRs could be an effective tool for computer-aided assessment of SARS-CoV-2 lung disease severity, although additional studies are needed before adoption for routine clinical use.


Sign in / Sign up

Export Citation Format

Share Document