ORIGINAL RESEARCH
Accepted on 06 Feb 2026
Computational machine learning analysis and validation for estimation of viscosity of ionic liquids versus temperature and composition
- 158 views
- Frontiers in Chemistry
- Theoretical and Computational Chemistry
- Research Topics
- AI for Molecular Design and Synthesis
AI for Molecular Design and Synthesis
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Articles
REVIEW
Published on 08 Jul 2025
Recent advances in AI-based toxicity prediction for drug discovery
doi 10.3389/fchem.2025.1632046
- 11,377 views
- 11 citations
ORIGINAL RESEARCH
Published on 25 Feb 2025
NanoAbLLaMA: construction of nanobody libraries with protein large language models
doi 10.3389/fchem.2025.1545136
- 3,189 views
- 3 citations
ORIGINAL RESEARCH
Published on 14 Jan 2025
A computational chemistry-based approach to optimizing PD-1/PD-L1 inhibitors
doi 10.3389/fchem.2024.1533541
- 1,619 views
- 1 citation
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