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Molecular Diversity|September 5, 2023
Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitorsLuiz Henrique Dias de Oliveira, Jorddy Neves Cruz, Cleydson Breno Rodrigues Dos Santos, et al.
Molecular Diversity|April 4, 2026
Discovery of anti-glioblastoma natural products based on andrographolide derivatives: efficiently identifying potential multi-target and multifunctional molecules through the integration of in silico methods and experimental verificationYa-Lin Li, Jun Mao, Xin-Yu Zhou, et al.
Molecular Diversity|April 4, 2026
Study of enhancing analgesic potential of μ-conotoxins from the computational and pharmacological insightsFan Zhao, Yunxia Liu, Ying Cui, et al.
Molecular Diversity|April 26, 2026
Subtractive proteomics-driven identification of AgrA and structure-guided discovery of phytochemical and marine natural products as novel anti-quorum sensing therapeutic leads against Enterococcus faeciumPradeep Kumar Sriram, Manikandan Jayaraman, Maharaja Muthuvairam Subbulakshmi, et al.
Molecular Diversity|May 9, 2026
Polyprenylated acylphloroglucinols from Hypericum monogynum and their reversal of multidrug resistance in MCF-7/ADR cellsYan-Rong Zeng, Peng Zhao, Jing-Yi Yin, et al.
Molecular Diversity|June 9, 2026
CPA-catalyzed enantioselective synthesis of α,α-bisindoles-assembled triarylmethanes between 3-indolyl[1,4]thiazepines and indoles via ring-opening/friedel-crafts reactionTeng Liu, Airong She, Fei Wang, et al.
Molecular Diversity|June 9, 2026
Comparative evaluation and selection of optimal QSAR-based machine learning model for liver toxicity predictionShreehari Thombre, Chandrakant Bonde, Prashant Kharkar, et al.
Molecular Diversity|June 15, 2026
Integrating machine learning-based molecular design with experimental validation for the discovery of EGFR inhibitors in lung cancerHailing Qie, Liyuan Wang, Ce Li, et al.
Molecular Diversity|July 6, 2016
A new synthesis of S-aryl uracils from aryl thiols and 6-amino uracils in the presence of NCSGholamhossein Khalili
Molecular Diversity|August 2, 2021
Amphetamine-type stimulants (ATS) drug classification using shallow one-dimensional convolutional neural networkNorfadzlia Mohd Yusof, Azah Kamilah Muda, Satrya Fajri Pratama, et al.
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