A
Alexander Golbraikh
Researcher at University of North Carolina at Chapel Hill
Publications - 58
Citations - 7735
Alexander Golbraikh is an academic researcher from University of North Carolina at Chapel Hill. The author has contributed to research in topics: Quantitative structure–activity relationship & Applicability domain. The author has an hindex of 32, co-authored 58 publications receiving 6988 citations. Previous affiliations of Alexander Golbraikh include Latvian Academy of Sciences & University of Orléans.
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Journal ArticleDOI
Quantitative Structure – Property Relationship Modeling of Remote Liposome Loading Of Drugs
Ahuva Cern,Alexander Golbraikh,Aleck Sedykh,Alexander Tropsha,Yechezkel Barenholz,Amiram Goldblum +5 more
TL;DR: It is concluded that QSPR models can be used to identify candidate drugs expected to have high remote loading capacity while simultaneously optimizing the design of formulation experiments.
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A Novel Two-Step Hierarchical Quantitative Structure–Activity Relationship Modeling Work Flow for Predicting Acute Toxicity of Chemicals in Rodents
Hao Zhu,Lin Ye,Ann M. Richard,Alexander Golbraikh,Fred A. Wright,Ivan Rusyn,Alexander Tropsha +6 more
TL;DR: The novelty of this modeling approach is that it uses the relationships between in vivo and in vitro data only to inform the initial construction of the hierarchical two-step QSAR models.
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Novel ZE-isomerism descriptors derived from molecular topology and their application to QSAR analysis.
TL;DR: In this article, a series of novel ZE-isomerism descriptors derived directly from two-dimensional molecular topology are introduced. But these descriptors can be either real or complex numbers and their applicability to QSAR analysis is demonstrated in the studies of 131 anticancer agents.
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Validation of protein-based alignment in 3D quantitative structure-activity relationships with CoMFA models.
TL;DR: The PBA 3D QSAR models appeared to have a higher predictability, even for compounds with a molecular diversity greater than that of the training set, which results from the fact that the protein helps to automatically select the active conformation which is fitting the 3DQSAR model.
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Novel ligands for the human histamine H1 receptor: synthesis, pharmacology, and comparative molecular field analysis studies of 2-dimethylamino-5-(6)-phenyl-1,2,3,4-tetrahydronaphthalenes.
TL;DR: It is concluded that the lipophilic (brain-penetrating) APT molecular scaffold may have pharmacotherapeutic potential in neuropsychiatric diseases.