Machine learning models for occurrence form prediction of heavy metals in tailings
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 …
pollution. The study of heavy metal occurrence forms is a promising way to remediate …
Do pre-trained language models indeed understand software engineering tasks?
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 …
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 …
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 …
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
Quantitative structure-retention relationship (QSRR) modeling has emerged as an efficient
alternative to predict analyte retention times using molecular descriptors. However, most …
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 …
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
Microtubules are receiving enormous interest in drug discovery due to the important roles
they play in cellular functions. Targeting tubulin polymerization presents an excellent …
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 …
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
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 …
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 …
several multicellular organisms. For normal differentiation, genomes are essential as their …