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Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL
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ILP has been applied to identifying and predicting ligands.
“The types of task ILP has been applied to include identifying and predicting ligands (substructures responsible for medical activity) (Finn et al., 1998; Srinivasan et al., 2006; Kaalia et al., 2016)”
From Inductive Logic Programming At 30: A New Introduction (2022) · cites this paper as Finn et al., 1998
Section 2.2.3 (page unavailable) says the paper applies ILP to pharmacophore discovery, identifying molecular features associated with biological activity. Section 2.3 (page unavailable) also describes ILP applications to predicting molecular activity. But the paper defines ligands as molecules that bind to a protein, not as activity-related substructures, and does not describe its task as predicting ligands. (LLM, conf=0.87)
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References 34 · Cited by 138
Research works printed but not linked: 28
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- King, R., Muggleton, S., Srinivasan, A., & Sternberg, M. (1996). Structure-activity relationships derived by machine learning: the use of atoms and their bond connectives to predict mutagenicity by inductive logic programming. Proceedings of the National Academy of Sciences, 93:438–442. · DOI
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Metadata
- Authors
- Finn, P., Muggleton, S., Page, D., & Srinivasan, A.
- Affiliations
- Pfizer (United Kingdom) (GB)
- University of York (GB)
- University of Louisville (US)
- University of Oxford (GB)
- Venue
- Machine Learning
- Published
- 1998-02
- Volume
- 30
- Issue
- 2-3
- Pages
- 241-270
- ISSN
- 0885-6125 (ISSN-L)
- 1573-0565
- OpenAlex
- W1534731256
- Cited by
- 138
- References
- 34
- Citations by year
- 2026: 1 · 2025: 2 · 2024: 1 · 2022: 1 · 2021: 1 · 2020: 1 · 2019: 4 · 2018: 1 · 2017: 2 · 2016: 1 · 2015: 1 · 2014: 2 · 2013: 9 · 2012: 4
- FWCI
- 13.11
- Type
- journal article
- Language
- en
- Open access
- bronze
- doi.org
- Licence
- Locations
- Machine Learning (publishedVersion)
- Funders
- Pfizer
- University of Oxford
- Engineering and Physical Sciences Research Council
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Physical Sciences › Computer Science › Information Systems › Data Mining Algorithms and Applications
- Physical Sciences › Computer Science › Artificial Intelligence › AI-based Problem Solving and Planning
- Keywords
- inductive logic programming, Progol, ACE inhibitors, drug design, knowledge discovery, hypothesis search, declarative knowledge representation, prior knowledge
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