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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025Subjects: -
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Algorithmic assessment reveals functional implications of GABRD gene variants linked to idiopathic generalized epilepsy
Published 2024“…Initially, separate algorithms based on sequence homology are utilized to assess this variant set. …”
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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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<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 2025“…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…”
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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Dataset of networks used in assessing the Troika algorithm for clique partitioning and community detection
Published 2025“…Each network is provided in .gml format or .pkl format which can be read into a networkX graph object using standard functions from the networkX library in Python. …”
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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data
Published 2022Subjects: -
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