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MultiPharm-DT: A Multi-Objective Decision Tool for Ligand-Based Virtual Screening Problems.
- Source :
- Informatica; 2022, Vol. 33 Issue 1, p55-80, 26p
- Publication Year :
- 2022
-
Abstract
- Ligand Based Virtual Screening methods are used to screen molecule databases to select the most promising compounds for a query. This is performed by decision-makers based on the information of the descriptors, which are usually processed individually. This methodology leads to a lack of information and hard post-processing dependent on the expert's knowledge that can end up in the discarding of promising compounds. Consequently, in this work, we propose a new multi-objective methodology called MultiPharm-DT where several descriptors are considered simultaneously and whose results are offered to the decision-maker without effort on their part and without relying on their expertise. [ABSTRACT FROM AUTHOR]
- Subjects :
- DATABASES
EXPERTISE
MOLECULES
CHEMICAL bonds
Subjects
Details
- Language :
- English
- ISSN :
- 08684952
- Volume :
- 33
- Issue :
- 1
- Database :
- Complementary Index
- Journal :
- Informatica
- Publication Type :
- Academic Journal
- Accession number :
- 156139572
- Full Text :
- https://doi.org/10.15388/21-INFOR469