Advanced computational methods are being actively sought to address the challenges
associated with the discovery and development of new combinatorial materials, such as …

Compared with traditional membrane separation methods such as distillation and
chromatography, nanofiltration (NF) affords decreased waste generation and energy …

Abstract The Bioconcentration Factor (BCF) is an important parameter in the environmental
risk assessment of chemicals, relevant for industrial and academic research as well as …

Sustainable practices in chemical sciences can be better realized by adopting
interdisciplinary approaches that combine the advantages of machine learning (ML) on the …

We present a graph-convolutional neural network (GCNN)-based method for learning and
prediction of statistical torsional profiles (STP) in small organic molecules based on the …

Data scarcity in pharmaceutical research has led to reliance on labour-intensive trial-and-
error approaches for development rather than data-driven methods. While Machine …

abstract The Bioconcentration Factor (BCF) is an important parameter in the environmental
risk assessment of chemicals, relevant for industrial and academic research as well as …