Publications

  • Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data

    Paper Code
    BibTeX
    @article{fooladi2025evaluating,
      title={Evaluating Machine Learning Models for Molecular Property Prediction: Performance and Robustness on Out-of-Distribution Data},
      author={Fooladi, Hosein and Vu, Thi Ngoc Lan and Mathea, Miriam and Kirchmair, Johannes},
      journal={Journal of Chemical Information and Modeling},
      volume={65},
      number={19},
      pages={9871--9891},
      year={2025},
      publisher={ACS Publications}
    }
    
  • Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening

    Paper Code
    BibTeX
    @article{vu2025integrating,
      title={Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening},
      author={Vu, Thi Ngoc Lan and Fooladi, Hosein and Kirchmair, Johannes},
      journal={Journal of Chemical Information and Modeling},
      volume={65},
      number={10},
      pages={4833--4843},
      year={2025},
      publisher={ACS Publications}
    }
    
  • Quantifying the hardness of bioactivity prediction tasks for transfer learning

    Paper Code
    BibTeX
    @article{fooladi2024quantifying,
      title={Quantifying the hardness of bioactivity prediction tasks for transfer learning},
      author={Fooladi, Hosein and Hirte, Steffen and Kirchmair, Johannes},
      journal={Journal of Chemical Information and Modeling},
      volume={64},
      number={10},
      pages={4031-4046},
      year={2024},
      publisher={ACS Publications}
    }
    
  • Bayesian optimization for ternary complex prediction (BOTCP)

    Paper
    BibTeX
    @article{rao2023bayesian,
      title={Bayesian optimization for ternary complex prediction (BOTCP)},
      author={Rao, Arjun and Tunjic, Tin M and Brunsteiner, Michael and M{\"u}ller, Michael and Fooladi, Hosein and Gasbarri, Chiara and Weber, Noah},
      journal={Artificial Intelligence in the Life Sciences},
      volume={3},
      pages={100072},
      year={2023},
      publisher={Elsevier}
    }
    
  • Recognizing Arrow Of Time In The Short Stories

    Paper Code
    BibTeX
    @article{hosseini2019recognizing,
      title={Recognizing Arrow Of Time In The Short Stories},
      author={Hosseini, Fahimeh and Fooladi, Hosein and Samsami, Mohammad Reza},
      journal={arXiv preprint arXiv:1903.10548},
      year={2019}
    }
    
  • Enhanced Waddington Landscape Model with Cell-Cell Communication Can Explain Molecular Mechanisms of Self-Organization

    Paper Code
    BibTeX
    @article{fooladi2019enhanced,
      title={Enhanced Waddington landscape model with cell--cell communication can explain molecular mechanisms of self-organization},
      author={Fooladi, Hosein and Moradi, Parsa and Sharifi-Zarchi, Ali and Hosein Khalaj, Babak},
      journal={Bioinformatics},
      volume={35},
      number={20},
      pages={4081--4088},
      year={2019},
      publisher={Oxford University Press}
    }
    
  • Optimum Design, Manufacturing and Experiment of a Passive Walking Biped: Effects of Structural Parameters on Efficiency, Stability and Robustness on Uneven Trains

    Paper
    BibTeX
    @article{sadati2013optimum,
      title={Optimum Design, Manufacturing and Experiment of a Passive Walking Biped: Effects of Structural Parameters on Efficiency, Stability and Robustness on Uneven Trains},
      author={Sadati, SM Hadi and Borgheinejad, M and Fooladi, H and Naraghi, M and Ohadi, AR},
      journal={Applied Mechanics and Materials},
      volume={307},
      pages={107--111},
      year={2013},
      publisher={Trans Tech Publ}
    }