Pharmacophore Discovery Using the Inductive Logic Programming System PROGOL
Open accessThe claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
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)
Experimental — accuracy not yet measured
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
The citation lists haven’t been fetched yet
References 34 · Cited by 138
Research works printed but not linked: 22
- Andrews, P., Carson, J., Caselli, A., Spark, M., & Woods, R. (1985). Conformational analysis and active site modelling of angiotensin-converting enzyme inhibitors. Journal of Medicinal Chemistry, 28:393-399.
- Bohacek, R., Lombaert, S. D., McMartin, C., Priestle, J., & Grutter, M. (1996). Three-dimensional models of ACE and NEP inhibitors and their use in the design of potent dual ACE/NEP inhibitors. Journal of the American Chemical Society, 118:8231-8249.
- Brint, A. & Willett, P. (1987). Algorithms for the identification of three-dimensional maximal common substruc- tures. J. Chem. Inf. Comput. Sci., 27(152):152-158.
- Buchanan, B., Feigenbaum, E., & Sridharan, N. (1972). Heuristic theory formation: data interpretation and rule formation. In Meltzer, B. and Michie, D., editors, Machine intelligence 7, pages 267-290. Edinburgh University Press.
- Debnath, A., de Compadre, R. L., Debnath, G., Schusterman, A., & Hansch, C. (1991). Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. correlation with molecular orbital energies and hydrophobicity. Journal of Medicinal Chemistry, 34(2):786 -797.
- Dietterich, T., Lathrop, R., & Lozano-Perez, T. (1997). Solving the multiple-instance problem with axis-parallel rectangles. Artificial Intelligence, 89(1-2):31-71.
- Fayyad, U., Piatetsky-Shapiro, G., Smyth, P., & Uthurusamy, R. (1996). Advances in knowledge discovery and data mining. AAAI Press / MIT Press.
- Hassell, C., Krohn, A., Moody, C., & Thomas, W. (1982). The design of a new group of angiotensin-converting enzyme inhibitors. FEBS Letters, 147:175-179.
- Jain, A., Dietterich, T., Lathrop, R., Chapman, D., Critchlow, R., Bauer, B., Webster, T., & Lozano-Pérez, T. (1994a). Compass: a shape-based machine learning tool for drug design. Journal of Computer-Aided Molecular Design, 8:635-652.
- Jain, A., Koile, K., Bauer, B., & Chapman, D. (1994b). Compass: Predicting biological activities from molecular surface properties. Journal of Medicinal Chemistry, 37:2315-2327.
- King, R., Muggleton, S., Lewis, R., & Sternberg, M. (1992). Drug design by machine learning: The use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase. Proceedings of the National Academy of Sciences, 89(23):11322-11326.
- 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.
- Leach, A. (1991). A survey of methods for searching conformational space of small and medium sized molecules. In Lipkowitz and Boyd, editors, Reviews of Computational Chemistry, Vol. 2. VCH USA.
- Martin, Y., Bures, M., Danaher, E., DeLazzer, J., Lico, I., & Pavlik, P. (1993). A fast new approach to pharma- cophore mapping and its application to dopaminergic and benzodiazepine agonists. Journal of Computer-Aided Molecular Design, 7:83-102.
- Mayer, D., Naylor, C., Motoc, I., & Marshall, G. (1987). A unique geometry of the active site of angiotensin- converting enzyme consistent with structure-activity studies. Journal of Computer-Aided Molecular Design, 1:3-16.
- Michalski, R., Mozetic, I., Hong, J., & Lavrac, N. (1986). The AQ15 inductive learning system: an overview and experiments. In Proceedings of IMAL 1986, Orsay. Université de Paris-Sud.
- Muggleton, S. (1996). Learning from positive data. In Proceedings of the Sixth Inductive Logic Programming Workshop, Lecture notes in artificial intelligence, Berlin. Springer-Verlag.
- Muggleton, S. & Feng, C. (1990). Efficient induction of logic programs. In Proceedings of the First Conference on Algorithmic Learning Theory, Tokyo. Ohmsha.
- Muggleton, S., Page, C., & Srinivasan, A. (1996). An initial experiment into stereochemistry-based drug design using ILP. In Proceedings of the Sixth Inductive Logic Programming Workshop, Lecture notes in artificial intelligence, Berlin. Springer-Verlag.
- Shapiro, E. (1983). Algorithmic program debugging. MIT Press.
- Srinivasan, A. & Camacho, R. (1996). Experiments in numerical reasoning with ILP. Technical Report PRG- TR-22-96, Oxford University Computing Laboratory, Oxford.
- Srinivasan, A. & Camacho, R. (1997). Experiments in numerical reasoning with ILP. Journal of Logic Program- ming (accepted).
- 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
- Physical Sciences › Computer Science › Computational Theory and Mathematics › 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
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
