Projects funded by the NCN
Substructural Connectivity Fingerprint and Extreme Entropy Machines: A New Method of Compound Representation and Analysis
2015/17/N/ST6/03578
Keywords:
fingerprint substructural connectivity cheminformatics machine learning extreme entropy machines
Descriptors:
- ST6_13: Bioinformatics, biocomputing, DNA and molecular computation
- ST6_11: Machine learning, statistical data processing and applications using signal processing (e.g. speech, image, video)
- NZ7_14: Pharmacy, pharmacotherapy, pharmacology
Panel:
ST6 - Computer science and informatics: informatics and information systems, computer science, scientific computing, intelligent systems
Host institution :
Instytut Farmakologii PAN
woj. małopolskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 3
Call: PRELUDIUM 9 - announced on 2015-03-16
Amount awarded: 94 400 PLN
Project start date (Y-m-d): 2016-02-15
Project end date (Y-m-d): 2018-02-14
Project duration:: 24 months (the same as in the proposal)
Project status: Project settled
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Equipment purchased [PL]
- Laptop do prezentowania wyników (2 999 PLN)
- Czterordzeniowy komputer do klastra obliczeniowego (26 000 PLN)
- Komputer do wysokowydajnych obliczeń naukowych - zgodnie z aneksem do umowy (22 929 PLN)
Information in the final report
- Publication in academic press/journals (1)
- Substructural Connectivity Fingerprint and Extreme Entropy Machines - A New Method of Compound Representation and AnalysisAuthors:Krzysztof Rataj, Wojciech Czarnecki, Sabina Podlewska, Agnieszka Pocha, Andrzej J. BojarskiAcademic press:Molecules (rok: 2018, tom: 23(6), strony: b.d.), Wydawca: MDPIStatus:PublishedDOI:10.3390/molecules23061242 - link to the publication