QSPR modeling to predict surface tension of psychoanaleptic drugs using the hybrid DA-SVR algorithm

2024/10/23 by Meriem Ouaissa, Maamar Laidi, Othmane Benkortbi +1 · 1 voice
Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · #Analytical Chemistry and Chromatography #Computational Drug Discovery Methods #Metabolomics and Mass Spectrometry Studies

paper · doi:10.1016/j.jmgm.2024.108896

openalex publication_date 2024/10/23 · crossref created 2024/10/23 · crossref deposited 2024/12/03 · crossref issued 2025/01/01 · crossref published 2025/01/01 · crossref published-print 2025/01/01 · openalex created_date 2025/10/10 · crossref indexed 2025/12/15 · openalex updated_date 2026/06/15

Citations

• Model Selection and Akaike's Information Criterion (AIC): The General Theory and its Analytical Extensions
• Molecular Connectivity and Substructure Analysis
• Genetic algorithms: a survey
• New molecular descriptors for 2D and 3D structures. Theory
• Multimodel Inference
• alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints
• Alvascience: A New Software Suite for the QSAR Workflow Applied to the Blood–Brain Barrier Permeability

Discussions

• AlvaDesc and alvaModel have been used in "QSPR modeling to predict surface tension of psychoanaleptic drugs using the hybrid DA-SVR algorithm" doi.org/10.1016/j.jm... Check Alvascience tools at: alva [bsky, 0 points, 0 comments]