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Molecular Diversity|May 9, 2026
Exploring anti-dengue activity with atomic-weighted vectors, class balancing and machine learningYoan Martínez-López, Ansel Y Rodríguez-Gonzalez, Paulina Phoobane, et al.
Molecular Diversity|May 27, 2025
Application of high-precision solubility prediction models in the assisted design of drug-like compoundsYutong Gao
Molecular Diversity|May 14, 2026
Design, synthesis and pharmacological evaluation of novel 2-aryloxazole-based H3 receptor antagonists as potent, antiseizure agentsYing Zheng, Guowen He, Yingna Zhu, et al.
Molecular Diversity|May 26, 2025
Harnessing virtual screening and MD simulations: a multistage approach to identifying potent and nontoxic agonists for protein kinase AMuneeb Ali, Nadeem Ahmad, Madiha Sardar, et al.
Molecular Diversity|February 18, 2026
Multi-modal machine learning and molecular modelling reveal structurally diverse inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase BMohd Imran
Molecular Diversity|February 25, 2026
Structure-based computational investigation of potential TarA inhibitors in Staphylococcus aureusBoggarapu Ganesh, Lalitha Guruprasad
Molecular Diversity|January 1, 2017
Design, synthesis, in silico and biological evaluation of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazine carboxamidesShikha Kumari, Chandra Bhushan Mishra, Danish Idrees, et al.
Molecular Diversity|December 2, 2016
Computer modeling in predicting the bioactivity of human 5-lipoxygenase inhibitorsMengdi Zhang, Zhonghua Xia, Aixia Yan
Molecular Diversity|March 14, 2014
Synthesis, characterization, and antimicrobial evaluation of a small library of ferrocene-containing acetoacetates and phenyl analogs: the discovery of a potent anticandidal agentNiko S Radulović, Marko Z Mladenović, Zorica Stojanović-Radić, et al.
Molecular Diversity|April 2, 2014
Tractable synthesis of multipurpose screening compounds with under-represented molecular features for an open access screening platformFelix Wilde, Edgar Specker, Martin Neuenschwander, et al.
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