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Construction of the PRG score index using integrated machine learning algorithms.
Published 2025Subjects: -
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Predicting the Mutagenic Activity of Nitroaromatics Using Conceptual Density Functional Theory Descriptors and Explainable No-Code Machine Learning Approaches
Published 2025“…This study integrates conceptual density functional theory (CDFT) descriptors with explainable no-code machine learning (ML) models to predict NA mutagenicity based on Ames test results. …”
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Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Published 2025“…Improving algorithmic efficiency through hardware-aware implementations enables application to larger systems and more efficient generation of larger training data sets for machine-learning. …”
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Multidimensional test results of BWEMFO and MFO on IEEE CEC 2017 test functions.
Published 2025Subjects: