Machine learning methods for small data challenges in molecular science

B Dou, Z Zhu, E Merkurjev, L Ke, L Chen… - Chemical …, 2023 - ACS Publications
Small data are often used in scientific and engineering research due to the presence of
various constraints, such as time, cost, ethics, privacy, security, and technical limitations in …

[HTML][HTML] Optimization and scale-up of fermentation processes driven by models

YH Du, MY Wang, LH Yang, LL Tong, DS Guo, XJ Ji - Bioengineering, 2022 - mdpi.com
In the era of sustainable development, the use of cell factories to produce various
compounds by fermentation has attracted extensive attention; however, industrial …

Machine learning and artificial intelligence: a paradigm shift in big data-driven drug design and discovery

P Pasrija, P Jha, P Upadhyaya… - Current Topics in …, 2022 - benthamdirect.com
Background: The lengthy and expensive process of develo** a novel medicine often takes
many years and entails a significant financial burden due to its poor success rate …

Deeppipe: A semi-supervised learning for operating condition recognition of multi-product pipelines

J Zheng, J Du, Y Liang, Q Liao, Z Li, H Zhang… - Process Safety and …, 2021 - Elsevier
Intelligent operating monitoring of pipelines helps to detect anomalies in time to ensure
pipeline safe, reducing potential risk. However, the operating conditions of the multi-product …

Accelerating big data analysis through LASSO-random forest algorithm in QSAR studies

F Motamedi, H Pérez-Sánchez, A Mehridehnavi… - …, 2022 - academic.oup.com
Motivation The aim of quantitative structure–activity prediction (QSAR) studies is to identify
novel drug-like molecules that can be suggested as lead compounds by means of two …

Development of novel ensemble model using stacking learning and evolutionary computation techniques for automated hepatocellular carcinoma detection

W Książek, M Hammad, P Pławiak, UR Acharya… - Biocybernetics and …, 2020 - Elsevier
The most common type of liver cancer is hepatocellular carcinoma (HCC), which begins in
hepatocytes. The HCC, like most types of cancer, does not show symptoms in the early …

Geometrical defect detection on additive manufacturing parts with curvature feature and machine learning

R Li, M **, Z Pei, D Wang - The International Journal of Advanced …, 2022 - Springer
The geometrical quality assessment for additive manufacturing (AM) is a great challenge
because of the complexity of AM parts and low repeatability of AM processes. Existing defect …

[HTML][HTML] K-nearest neighbor based computational intelligence and RSM predictive models for extraction of Cadmium from contaminated soil

ND Mu'azu, SO Olatunji - Ain Shams Engineering Journal, 2023 - Elsevier
Computational intelligence (CI) predictive models based on k-Nearest Neighbor (KNN)
algorithms were developed for Cd ions removal from contaminated soil using …

The experimentalist's guide to machine learning for small molecule design

SE Lindley, Y Lu, D Shukla - ACS Applied Bio Materials, 2023 - ACS Publications
Initially part of the field of artificial intelligence, machine learning (ML) has become a
booming research area since branching out into its own field in the 1990s. After three …

Multi-dimensional and objective assessment of motion sickness susceptibility based on machine learning

C Li, Z Zhang, Y Liu, T Zhang, X Zhang, H Wang… - Frontiers in …, 2022 - frontiersin.org
Background As human transportation, recreation, and production methods change, the
impact of motion sickness (MS) on humans is becoming more prominent. The susceptibility …