QSAR without borders

• QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool

  2024 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access

  29

  citations
• AI is a viable alternative to high throughput screening: a 318-target study

  2024 Scientific Reports article Computer Science Computational Drug Discovery Methods Open access

  140

  citations
• QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool

  2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

  1

  citations
• Large-Scale Modeling of Sparse Protein Kinase Activity Data

  2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access

  14

  citations
• Large-scale modelling of sparse kinase activitydata

  2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

  0

  citations
• Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids

  2023 Computers & Chemical Engineering article Chemical Engineering Ionic liquids properties and applications Open access

  86

  citations
• Graph machine learning for design of high‐octane fuels

  2022 AIChE Journal article Materials Science Machine Learning in Materials Science Open access

  36

  citations
• GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics

  2021 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access

  23

  citations

8 results