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Molecular Diversity|May 27, 2026
Machine learning-enhanced QSAR modeling for predicting drug efficacy against the RET V804M kinase domain mutationBithia R, Durga Shree Nagabushanam, Ramkumar Thirunavukarasu, et al.
Molecular Diversity|May 29, 2026
Recent developments of α-nitroketones/α‑nitro-α,β-unsaturated ketones as nucleophilic/electrophilic acyl transfer reagents in the catalytic asymmetric reactionSoumen Mistri, Keshab Mondal
Molecular Diversity|May 29, 2026
Theoretical visualization of covalent and non-covalent interactions: molecular diversity and substituent effects governing the reactivity of Bulbophyllum bibenzyl derivativesFatiha Guenfoud, Oussama Khaoua, Noura Benbellat
Molecular Diversity|June 10, 2006
Analyzing toxicity through electrophilicityD R Roy, U Sarkar, P K Chattaraj, et al.
Molecular Diversity|March 26, 2005
Recent advances in 1,3-dipolar cycloaddition reactions on solid supportsKirsi Harju, Jari Yli-Kauhaluoma
Molecular Diversity|June 5, 2026
Computational screening of Alternaria metabolites as potential DPP-4 inhibitors: ADMET, molecular docking, molecular dynamics, and network pharmacology analysisPiyush Kumar, Sai Anand Kannakazhi Kantari, Malleswara Dharanikota
Molecular Diversity|June 9, 2026
BCAT1 mediates the carcinogenic effects of environmental bisphenol exposure: mechanistic discoveries in osteosarcoma and pan-cancer analysisSun Jiahao, Wang Cong, Li Xin, et al.
Molecular Diversity|April 21, 2026
Harnessing machine learning and multi-scale modeling to discover novel ALOX15 inhibitors from marine natural productsXiyi Zheng, Xiaomin Lin, Jiahua Tao, et al.
Molecular Diversity|May 3, 2026
Integrating AI into next-generation PROTAC Engineering: a comprehensive toolkit for rational PROTAC designPitam Ghosh, Ryena Dhir, Dinki Sharma, et al.
Molecular Diversity|May 9, 2026
Rapid evaluation of the comprehensive quality of paeonol/cyclodextrin supramolecular complexes using CASSA based on near-infrared spectroscopy combined with artificial intelligenceBo-Yao Zhang, Xin-Li Li, Cheng Qian, et al.
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