Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors

2023/09/06 by Luiz Henrique Dias De Oliveira, Luiz Henrique Dias de Oliveira, Jorddy Neves Cruz +3 · 1 voice
Biochemistry, Genetics and Molecular Biology · Computer Science · #Chemical Synthesis and Analysis #Computational Drug Discovery Methods

paper · doi:10.1007/s11030-023-10724-5

crossref issued 2023/09/06 · crossref published 2023/09/06 · crossref published-online 2023/09/06 · openalex publication_date 2023/09/06 · crossref created 2023/09/06 · crossref published-print 2024/10/01 · crossref deposited 2024/12/02 · crossref indexed 2025/09/08 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/23

Citations

• Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation
• ESOL: Estimating Aqueous Solubility Directly from Molecular Structure
• Basic validation procedures for regression models in QSAR and QSPR studies: theory and application
• Statistical tests, P values, confidence intervals, and power: a guide to misinterpretations

Discussions

• Alguns dos trabalhos desenvolvidos principalmente no LQMAT podem ser obtidos nos links abaixo. Devido ao espaço, estamos postando apenas os links: - doi.org/10.1007/s110... - doi.org/10.1007/s110... - [bsky, 0 points, 0 comments]