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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space
Published 2020“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”
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DataSheet_1_Identifying hub genes and common biological pathways between COVID-19 and benign prostatic hyperplasia by machine learning algorithms.docx
Published 2023Subjects: “…Antibody Engineering, Xenotransplantation and T-cell Therapies)…”
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BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data
Published 2019“…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”
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Data_Sheet_1_Prediction of motor function in patients with traumatic brain injury using genetic algorithms modified back propagation neural network: a data-based study.docx
Published 2023“…</p>Conclusion<p>The genetic algorithms modified back propagation neural network can predict motor function in patients with traumatic brain injury, which can be used as a reference for risk and prognosis assessment and guide clinical decision-making.…”
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Data_Sheet_1_Prediction of motor function in patients with traumatic brain injury using genetic algorithms modified back propagation neural network: A data-based study.docx
Published 2023“…</p>Conclusion<p>The genetic algorithms modified back propagation neural network can predict motor function in patients with traumatic brain injury, which can be used as a reference for risk and prognosis assessment and guide clinical decision-making.…”
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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The largest variations extracted from 23 pixel-value profiles are plotted.
Published 2020Subjects: “…Cell Biology…”
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