An integrated quantitative structure and mechanism of action-activity relationship model of human serum albumin binding
Abstract Background Traditional quantitative structure-activity relationship models usually neglect the molecular alterations happening in the exposed systems (the mechanism of action, MOA), that mediate between structural properties of compounds and phenotypic effects of an exposure. Results Here,...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
BMC
2019-06-01
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Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | http://link.springer.com/article/10.1186/s13321-019-0359-2 |