Showing 1 - 3 results of 3 for search '(( binary a model optimization algorithm ) OR ( binary based property optimization algorithm ))~', query time: 0.48s Refine Results
  1. 1

    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 2025
    “…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …”
  2. 2

    Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction by Raul A. Flores (2910539)

    Published 2020
    “…We emphasize that the proposed AL algorithm can be easily generalized to search for any binary metal oxide structure with a defined stoichiometry.…”
  3. 3

    Machine Learning-Ready Dataset for Cytotoxicity Prediction of Metal Oxide Nanoparticles by Soham Savarkar (21811825)

    Published 2025
    “…</p><p dir="ltr">IC50 (µg/mL): The concentration at which 50% of cells are inhibited, used as a toxicity threshold.</p><p dir="ltr">These biological metrics were used to define a binary toxicity label: entries were classified as toxic (1) or non-toxic (0) based on thresholds from standardized guidelines (e.g., ISO 10993-5:2009) and literature consensus. …”