Cheminformatics and artificial intelligence for accelerating agrochemical discovery
Y Djoumbou-Feunang, J Wilmot, J Kinney… - Frontiers in …, 2023 - frontiersin.org
The global cost-benefit analysis of pesticide use during the last 30 years has been
characterized by a significant increase during the period from 1990 to 2007 followed by a …
characterized by a significant increase during the period from 1990 to 2007 followed by a …
Overview of processed excipients in ocular drug delivery: Opportunities so far and bottlenecks
Ocular drug delivery presents a unique set of challenges owing to the complex anatomy and
physiology of the eye. Processed excipients have emerged as crucial components in …
physiology of the eye. Processed excipients have emerged as crucial components in …
A benchmark dataset for machine learning in ecotoxicology
The use of machine learning for predicting ecotoxicological outcomes is promising, but
underutilized. The curation of data with informative features requires both expertise in …
underutilized. The curation of data with informative features requires both expertise in …
Graph convolution networks for social media trolls detection use deep feature extraction
M Asif, M Al-Razgan, YA Ali, L Yunrong - Journal of Cloud Computing, 2024 - Springer
This study presents a novel approach to identifying trolls and toxic content on social media
using deep learning. We developed a machine-learning model capable of detecting toxic …
using deep learning. We developed a machine-learning model capable of detecting toxic …
Quantifying the benefits of imputation over QSAR methods in toxicology data modeling
TM Whitehead, J Strickland, GJ Conduit… - Journal of Chemical …, 2023 - ACS Publications
Imputation machine learning (ML) surpasses traditional approaches in modeling toxicity
data. The method was tested on an open-source data set comprising approximately 2500 …
data. The method was tested on an open-source data set comprising approximately 2500 …
Towards safer pesticide management: A quantitative structure-activity relationship based hazard prediction model
G Karaduman, FK Çelik - Science of The Total Environment, 2024 - Elsevier
Pesticides are recognized as common environmental contaminants. The potential pesticide
hazard to non-target organisms, including various mammal species, is a global concern. The …
hazard to non-target organisms, including various mammal species, is a global concern. The …
Machine learning-based prediction of fish acute mortality: implementation, interpretation, and regulatory relevance
Regulation of chemicals requires knowledge of their toxicological effects on a large number
of species, which has traditionally been acquired through in vivo testing. The recent effort to …
of species, which has traditionally been acquired through in vivo testing. The recent effort to …
Boosting Sinh Cosh Optimizer and arithmetic optimization algorithm for improved prediction of biological activities for indoloquinoline derivatives
Abstract Quantitative Structure Activity Relation (QSAR) models are mathematical
techniques used to link structural characteristics with biological activities, thus considered a …
techniques used to link structural characteristics with biological activities, thus considered a …
Analysis of implicit and explicit uncertainties in QSAR prediction of chemical toxicity: A case study of neurotoxicity
J Achar, JW Firman, C Tran, D Kim, MTD Cronin… - Regulatory Toxicology …, 2024 - Elsevier
Although uncertainties expressed in texts within QSAR studies can guide quantitative
uncertainty estimations, they are often overlooked during uncertainty analysis. Using …
uncertainty estimations, they are often overlooked during uncertainty analysis. Using …
Development and validation of an automatic machine learning model to predict abnormal increase of transaminase in valproic acid-treated epilepsy
H Ma, S Huang, F Li, Z Pang, J Luo, D Sun, J Liu… - Archives of …, 2024 - Springer
Valproic acid (VPA) is a primary medication for epilepsy, yet its hepatotoxicity consistently
raises concerns among individuals. This study aims to establish an automated machine …
raises concerns among individuals. This study aims to establish an automated machine …