[HTML][HTML] Multi-task aquatic toxicity prediction model based on multi-level features fusion

X Yang, J Sun, B Jin, Y Lu, J Cheng, J Jiang… - Journal of Advanced …, 2024 - Elsevier
Introduction With the escalating menace of organic compounds in environmental pollution
imperiling the survival of aquatic organisms, the investigation of organic compound toxicity …

Implementing comprehensive machine learning models of multispecies toxicity assessment to improve regulation of organic compounds

Y He, G Liu, S Hu, X Wang, J Jia, H Zhou… - Journal of Hazardous …, 2023 - Elsevier
Abstract Machine learning has made significant progress in assessing the risk associated
with hazardous chemicals. However, most models were constructed by randomly selecting …

In silico prediction of chemical aquatic toxicity by multiple machine learning and deep learning approaches

M Xu, H Yang, G Liu, Y Tang… - Journal of Applied …, 2022 - Wiley Online Library
Fish is one of the model animals used to evaluate the adverse effects of a chemical exposed
to the ecosystem. However, its low throughput and relevantly high expense make it …

Quantitative toxicity prediction via meta ensembling of multitask deep learning models

A Karim, V Riahi, A Mishra, MAH Newton… - ACS …, 2021 - ACS Publications
Toxicity prediction using quantitative structure–activity relationship has achieved significant
progress in recent years. However, most existing machine learning methods in toxicity …

Transformers enable accurate prediction of acute and chronic chemical toxicity in aquatic organisms

M Gustavsson, S Käll, P Svedberg, JS Inda-Diaz… - Science …, 2024 - science.org
Environmental hazard assessments are reliant on toxicity data that cover multiple organism
groups. Generating experimental toxicity data is, however, resource-intensive and time …

[HTML][HTML] Predicting dose-range chemical toxicity using novel hybrid deep machine-learning method

S Limbu, C Zakka, S Dakshanamurthy - Toxics, 2022 - mdpi.com
Humans are exposed to thousands of chemicals, including environmental chemicals.
Unfortunately, little is known about their potential toxicity, as determining the toxicity remains …

Ensemble multiclassification model for aquatic toxicity of organic compounds

X Li, G Liu, Z Wang, L Zhang, H Liu, H Ai - Aquatic Toxicology, 2023 - Elsevier
With environmental pollution becoming increasingly serious, organic compounds have
become the main hazard of environmental pollution and exert substantial negative impacts …

ToxMPNN: A deep learning model for small molecule toxicity prediction

Y Zhou, C Ning, Y Tan, Y Li, J Wang… - Journal of Applied …, 2024 - Wiley Online Library
Abstract Machine learning (ML) has shown a great promise in predicting toxicity of small
molecules. However, the availability of data for such predictions is often limited. Because of …

AquaticTox: A Web-Based Tool for Aquatic Toxicity Evaluation Based on Ensemble Learning to Facilitate the Screening of Green Chemicals

XX Shi, ZZ Wang, YL Wang, F Wang… - Environment & …, 2024 - ACS Publications
The widespread use of chemical products inevitably brings many side effects as
environmental pollutants. Toxicological assessment of compounds to aquatic life plays an …

Deep learning for predicting toxicity of chemicals: a mini review

W Tang, J Chen, Z Wang, H Xie… - Journal of Environmental …, 2018 - Taylor & Francis
Humans and wildlife inhabit a world with panoply of natural and synthetic chemicals.
Alarmingly, only a limited number of chemicals have undergone comprehensive …