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Machine Learning and Knowledge Extraction, Volume 4, Issue 3

September 2022 - 13 articles

Cover Story: Molecular descriptors essentially dictate the performance of quantitative structure–activity relationship (QSAR) models that uncover molecules with desired properties in the ever-expanding virtual and synthetically available chemical space. The Simplified Molecular Input Line Entry System (SMILES) is one of the most used descriptors, for which the importance of numerical encoding has recently been recognized. We propose a new variable-length-array SMILES (VLA-SMILES) descriptor that reduces the code size while preserving structural characteristics, where the tradeoff between training speed and accuracy is controlled through clustering of binary numbers. The method of statistical H0 hypothesis testing based on the F2,n-2 criteria was used for predictive ability validation of designed VLA-SMILES featuring QSAR models using prototypical ChEMBL datasets (n is a volume of the testing set). View this paper
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Articles (13)

  • Article
  • Open Access
5 Citations
3,477 Views
11 Pages

16 September 2022

This paper uses various machine learning methods which explore the combination of multiple sensors for quality improvement. It is known that a reliable occupancy estimation can help in many different cases and applications. For the containment of the...

  • Article
  • Open Access
1 Citations
2,298 Views
24 Pages

10 September 2022

Factorizable joint shift (FJS) was recently proposed as a type of dataset shift for which the complete characteristics can be estimated from feature data observations on the test dataset by a method called Joint Importance Aligning. For the multinomi...

  • Article
  • Open Access
11 Citations
3,526 Views
11 Pages

There is a need to predict occupational injuries in South African National Parks for the purpose of implementing targeted interventions or preventive measures. Machine-learning models have the capability of predicting injuries such that the employees...

  • Article
  • Open Access
24 Citations
5,664 Views
15 Pages

Nowadays, underwater video systems are largely used by marine ecologists to study the biodiversity in underwater environments. These systems are non-destructive, do not perturb the environment and generate a large amount of visual data usable at any...

  • Article
  • Open Access
5 Citations
4,297 Views
15 Pages

Due to the requirement of video surveillance, machine learning-based single image deraining has become a research hotspot in recent years. In order to efficiently obtain rain removal images that contain more detailed information, this paper proposed...

  • Article
  • Open Access
4,567 Views
23 Pages

Machine learning represents a milestone in data-driven research, including material informatics, robotics, and computer-aided drug discovery. With the continuously growing virtual and synthetically available chemical space, efficient and robust quant...

  • Article
  • Open Access
2 Citations
3,625 Views
15 Pages

The implementation of data mining has become very popular in many fields recently, including in the petroleum industry. It is widely used to help in decision-making processes in order to minimize oil losses during operations. One of the major causes...

  • Article
  • Open Access
28 Citations
7,427 Views
12 Pages

Input/Output Variables Selection in Data Envelopment Analysis: A Shannon Entropy Approach

  • Pejman Peykani,
  • Fatemeh Sadat Seyed Esmaeili,
  • Mirpouya Mirmozaffari,
  • Armin Jabbarzadeh and
  • Mohammad Khamechian

The purpose of this study is to provide an efficient method for the selection of input–output indicators in the data envelopment analysis (DEA) approach, in order to improve the discriminatory power of the DEA method in the evaluation process a...

  • Article
  • Open Access
6 Citations
3,468 Views
23 Pages

Improving Deep Learning for Maritime Remote Sensing through Data Augmentation and Latent Space

  • Daniel Sobien,
  • Erik Higgins,
  • Justin Krometis,
  • Justin Kauffman and
  • Laura Freeman

Training deep learning models requires having the right data for the problem and understanding both your data and the models’ performance on that data. Training deep learning models is difficult when data are limited, so in this paper, we seek...

  • Article
  • Open Access
3 Citations
4,713 Views
24 Pages

The COVID-19 pandemic has impacted daily lives around the globe. Since 2019, the amount of literature focusing on COVID-19 has risen exponentially. However, it is almost impossible for humans to read all of the studies and classify them. This article...

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Mach. Learn. Knowl. Extr. - ISSN 2504-4990