SMILES. 2. Algorithm for generation of unique SMILES notation

• Sequential EXtreme Gradient Boosting-Based Descriptor Reduction for Size Prediction of Zwitterionic Polymer-Based Nanoparticles

  2025 ACS Omega article Materials Science Machine Learning in Materials Science Open access

  1

  citations
• Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding

  2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access

  24

  citations
• Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start

  2025 Journal of Chemical Information and Modeling article Engineering Process Optimization and Integration Open access

  0

  citations
• Making the InChI FAIR and sustainable while moving to inorganics

  2024 Faraday Discussions article Chemistry Chemistry and Stereochemistry Studies Open access

  6

  citations
• Making the InChI FAIR and sustainable by moving to open-source on GitHub

  2024 ChemRxiv preprint Chemistry Chemistry and Stereochemistry Studies Open access

  0

  citations
• Making the InChI FAIR and sustainable by moving to open-source on GitHub

  2024 ChemRxiv preprint Decision Sciences Scientific Computing and Data Management Open access

  3

  citations
• A novel antifolate suppresses growth of FPGS-deficient cells and overcomes methotrexate resistance

  2023 Life Science Alliance article Medicine Folate and B Vitamins Research Open access

  6

  citations
• A novel antifolate suppresses growth of FPGS-deficient cells and overcomes methotrexate resistance

  2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine Folate and B Vitamins Research Open access

  2

  citations

8 results