Machine Learning Methods to Improve Crystallization through the Prediction of Solute–Solvent Interactions

A Kandaswamy, SP Schwaminger - Crystals, 2024 - mdpi.com
Crystallization plays a crucial role in defining the quality and functionality of products across
various industries, including pharmaceutical, food and beverage, and chemical …

The first report on the assessment of maximum acceptable daily intake (MADI) of pesticides for humans using intelligent consensus predictions

A Kumar, PK Ojha, K Roy - Environmental Science: Processes & …, 2024 - pubs.rsc.org
Direct or indirect consumption of pesticides and their related products by humans and other
living organisms without safe dosing may pose a health risk. The risk may arise after a …

[HTML][HTML] Harnessing a better future: exploring AI and ML applications in renewable energy

TH Nguyen, P Paramasivam, HC Le… - JOIV: International Journal …, 2024 - joiv.org
Integrating machine learning (ML) and artificial intelligence (AI) with renewable energy
sources, including biomass, biofuels, engines, and solar power, can revolutionize the …

[HTML][HTML] Data-driven, explainable machine learning model for predicting volatile organic compounds' standard vaporization enthalpy

J Ferraz-Caetano, F Teixeira, MNDS Cordeiro - Chemosphere, 2024 - Elsevier
The accurate prediction of standard vaporization enthalpy (Δ vap H m°) for volatile organic
compounds (VOCs) is of paramount importance in environmental chemistry, industrial …

[HTML][HTML] Predicting the stereoselectivity of chemical reactions by composite machine learning method

J Chung, J Li, AI Saimon, P Hong, Z Kong - Scientific reports, 2024 - nature.com
Stereoselective reactions have played a vital role in the emergence of life, evolution, human
biology, and medicine. However, for a long time, most industrial and academic efforts …

[HTML][HTML] Machine Learning in Bio-cheminformatics

KM Merz, GW Wei, F Zhu - Journal of Chemical Information and …, 2024 - ACS Publications
In recent years, the application of machine learning (ML), including deep learning (DL), has
experienced exponential growth, which has promoted data-driven discovery in diverse …

Data-Driven Approaches to Predict Dendrimer Cytotoxicity

T Maity, AK Balachandran, LP Krishnamurthy… - ACS …, 2024 - ACS Publications
Dendrimers are employed as functional elements in contrast agents and are proposed as
nontoxic vehicles for drug delivery. Toxicity is a property that is to be evaluated for this novel …

[HTML][HTML] Extrapolation validation (EV): a universal validation method for mitigating machine learning extrapolation risk

M Yu, YN Zhou, Q Wang, F Yan - Digital Discovery, 2024 - pubs.rsc.org
Machine learning (ML) can provide decision-making advice for major challenges in science
and engineering, and its rapid development has led to advances in fields like chemistry & …

Harnessing Multidimensional Insights and Advanced Machine Learning for Optimized Energy Efficiency: Revolutionizing Sustainable Systems through Predictive …

N Anand, P Parwekar, V Bali - Educational Administration: Theory and …, 2024 - kuey.net
Abstract Integrating Multidimensional Insights for Enhanced Feature Selection in Energy
Transition Models presents a comprehensive approach to enhancing the energy efficiency …

A Universal Validation Method for Mitigating Machine Learning Extrapolation Risk

F Yan, M Yu, YN Zhou, Q Wang - 2023 - researchsquare.com
Abstract Machine Learning (ML) can provide decision-making advice for major challenges in
science and engineering, and its rapid development has led to advances in fields like …