Machine learning models for occurrence form prediction of heavy metals in tailings

J Zheng, M Wu, ZM Yaseen, C Qi - International Journal of Mining …, 2023 - Taylor & Francis
Modern mining and metal ore smelting produce vast tailings, increasing heavy metal
pollution. The study of heavy metal occurrence forms is a promising way to remediate …

Do pre-trained language models indeed understand software engineering tasks?

Y Li, T Zhang, X Luo, H Cai, S Fang… - IEEE Transactions on …, 2023 - ieeexplore.ieee.org
Artificial intelligence (AI) for software engineering (SE) tasks has recently achieved
promising performance. In this article, we investigate to what extent the pre-trained language …

Memory augmented recurrent neural networks for de-novo drug design

N Suresh, N Chinnakonda Ashok Kumar… - Plos one, 2022 - journals.plos.org
A recurrent neural network (RNN) is a machine learning model that learns the relationship
between elements of an input series, in addition to inferring a relationship between the data …

EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus

J Adams, K Agyenkwa-Mawuli, O Agyapong… - … Biology and Chemistry, 2022 - Elsevier
Ebola virus disease (EVD) is a highly virulent and often lethal illness that affects humans
through contact with the body fluid of infected persons. Glycoprotein and matrix protein VP40 …

Cross-column density functional theory–based quantitative structure-retention relationship model development powered by machine learning

S Mazraedoost, P Žuvela, S Ulenberg, T Bączek… - Analytical and …, 2024 - Springer
Quantitative structure-retention relationship (QSRR) modeling has emerged as an efficient
alternative to predict analyte retention times using molecular descriptors. However, most …

Feasibility and application of machine learning enabled fast screening of poly-beta-amino-esters for cartilage therapies

S Perni, P Prokopovich - Scientific Reports, 2022 - nature.com
Despite the large prevalence of diseases affecting cartilage (eg knee osteoarthritis affecting
16% of population globally), no curative treatments are available because of the limited …

Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors

O Agyapong, WA Miller, MD Wilson, SK Kwofie - Molecular Diversity, 2022 - Springer
Microtubules are receiving enormous interest in drug discovery due to the important roles
they play in cellular functions. Targeting tubulin polymerization presents an excellent …

ERL‐ProLiGraph: Enhanced representation learning on protein‐ligand graph structured data for binding affinity prediction

GG Paendong, S Ngnamsie Njimbouom… - Molecular …, 2024 - Wiley Online Library
Abstract Predicting Protein‐Ligand Binding Affinity (PLBA) is pivotal in drug development, as
accurate estimations of PLBA expedite the identification of promising drug candidates for …

A Graph Neural Network Model Enables Accurate Prediction of Anaplastic Lymphoma Kinase Inhibitors Compared to Other Machine Learning Models

TC Trinh, TL Phan, VT To, GB Truong… - … on Knowledge and …, 2023 - ieeexplore.ieee.org
Anaplastic lymphoma kinase (ALK), a tyrosine kinase receptor, is identified as a crucial
target in the progression of anticancer therapeutics for non-small cell lung cancer. This study …

Multifaceted targeting strategies in cancer against the human notch 3 protein: A computational study

S Saranyadevi - In Silico Pharmacology, 2021 - Springer
Notch receptors play a significant role in the development and the regulation of cell-fate in
several multicellular organisms. For normal differentiation, genomes are essential as their …