Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach
Covid-19 is a global pandemic that drives many researchers to strive to look for its solution, especially in the field of health, medicine, and total countermeasures. Early screening with in-silico processes is crucial to minimize the search space of the potential drugs to cure a disease. This resea...
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| Format: | UMS Journal (OJS) |
| Language: | eng |
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Department of Informatics, Universitas Muhammadiyah Surakarta, Indonesia
2022
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| Online Access: | https://journals.ums.ac.id/index.php/khif/article/view/16349 |
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| author | Darmawan, Refianto Damai Kusuma, Wisnu Ananta Rahmawan, Hendra |
| author_facet | Darmawan, Refianto Damai Kusuma, Wisnu Ananta Rahmawan, Hendra |
| author_sort | Darmawan, Refianto Damai |
| collection | OJS |
| description | Covid-19 is a global pandemic that drives many researchers to strive to look for its solution, especially in the field of health, medicine, and total countermeasures. Early screening with in-silico processes is crucial to minimize the search space of the potential drugs to cure a disease. This research aims to find potential drugs of covid-19 disease in the ZINC database to be further investigated through the in-vitro method. About 997.402.117 chemical compounds are searched about their similarity to some of the confirmed drugs to combat coronavirus. Sequential computation would take months to accomplish this task. The general programming graphic processing unit approach is used to implement a similarity comparison algorithm in parallel, in order to speed up the process. The result of this study shows the parallel algorithm implementation can speed up the computation process up to 55 times faster, and also that some of the chemical compounds have high similarity scores and can be found in nature |
| format | UMS Journal (OJS) |
| id | oai:ojs2.journals.ums.ac.id:article-16349 |
| institution | Universitas Muhammadiyah Surakarta |
| language | eng |
| publishDate | 2022 |
| publisher | Department of Informatics, Universitas Muhammadiyah Surakarta, Indonesia |
| record_format | ojs |
| spelling | oai:ojs2.journals.ums.ac.id:article-16349 Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach Darmawan, Refianto Damai Kusuma, Wisnu Ananta Rahmawan, Hendra covid-19, GPU programming, parallel programming, similarity comparison Covid-19 is a global pandemic that drives many researchers to strive to look for its solution, especially in the field of health, medicine, and total countermeasures. Early screening with in-silico processes is crucial to minimize the search space of the potential drugs to cure a disease. This research aims to find potential drugs of covid-19 disease in the ZINC database to be further investigated through the in-vitro method. About 997.402.117 chemical compounds are searched about their similarity to some of the confirmed drugs to combat coronavirus. Sequential computation would take months to accomplish this task. The general programming graphic processing unit approach is used to implement a similarity comparison algorithm in parallel, in order to speed up the process. The result of this study shows the parallel algorithm implementation can speed up the computation process up to 55 times faster, and also that some of the chemical compounds have high similarity scores and can be found in nature Department of Informatics, Universitas Muhammadiyah Surakarta, Indonesia Kementrian Riset, Teknologi, dan Pendidikan Tinggi 2022-09-15 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://journals.ums.ac.id/index.php/khif/article/view/16349 10.23917/khif.v8i2.16349 Khazanah Informatika : Jurnal Ilmu Komputer dan Informatika; Vol. 8 No. 2 October 2022 Khazanah Informatika; Vol. 8 No. 2 October 2022 2477-698X 2621-038X eng https://journals.ums.ac.id/index.php/khif/article/view/16349/7398 Copyright (c) 2022 Khazanah Informatika: Jurnal Ilmu Komputer dan Informatika http://creativecommons.org/licenses/by/4.0 |
| spellingShingle | covid-19, GPU programming, parallel programming, similarity comparison Darmawan, Refianto Damai Kusuma, Wisnu Ananta Rahmawan, Hendra Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach |
| title | Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach |
| title_full | Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach |
| title_fullStr | Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach |
| title_full_unstemmed | Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach |
| title_short | Herbal Compound Screening with GPU Computation on ZINC Database through Similarity Comparison Approach |
| title_sort | herbal compound screening with gpu computation on zinc database through similarity comparison approach |
| topic | covid-19, GPU programming, parallel programming, similarity comparison |
| topic_facet | covid-19, GPU programming, parallel programming, similarity comparison |
| url | https://journals.ums.ac.id/index.php/khif/article/view/16349 |
| work_keys_str_mv | AT darmawanrefiantodamai herbalcompoundscreeningwithgpucomputationonzincdatabasethroughsimilaritycomparisonapproach AT kusumawisnuananta herbalcompoundscreeningwithgpucomputationonzincdatabasethroughsimilaritycomparisonapproach AT rahmawanhendra herbalcompoundscreeningwithgpucomputationonzincdatabasethroughsimilaritycomparisonapproach |