Molecular Diversity

Papers
(The H4-Index of Molecular Diversity is 26. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-03-01 to 2024-03-01.)
ArticleCitations
Artificial intelligence to deep learning: machine intelligence approach for drug discovery405
Therapeutic potential of pyrrole and pyrrolidine analogs: an update61
Cytotoxic effect, enzyme inhibition, and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif53
First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability51
New organosulfur metallic compounds as potent drugs: synthesis, molecular modeling, spectral, antimicrobial, drug likeness and DFT analysis44
Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach43
Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-1942
Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization, molecular docking and molecular dynami40
A multimodal deep learning-based drug repurposing approach for treatment of COVID-1939
Molecular docking studies, molecular dynamics and ADME/tox reveal therapeutic potentials of STOCK1N-69160 against papain-like protease of SARS-CoV-238
Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation37
Therapeutics for COVID-19: from computation to practices—where we are, where we are heading to35
Unravelling the anticancer potency of 1,2,4-triazole-N-arylamide hybrids through inhibition of STAT3: synthesis and in silico mechanistic studies35
Evolving scenario of big data and Artificial Intelligence (AI) in drug discovery35
Recent trends in the chemistry of Sandmeyer reaction: a review33
Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease31
Synthesis, antimicrobial evaluation, and in silico studies of quinoline—1H-1,2,3-triazole molecular hybrids31
A review on synthetic account of 1,2,4-oxadiazoles as anti-infective agents30
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries30
Design, synthesis, and molecular docking studies of new [1,2,4]triazolo[4,3-a]quinoxaline derivatives as potential A2B receptor antagonists30
A patent review on efficient strategies for the total synthesis of pazopanib, regorafenib and lenvatinib as novel anti-angiogenesis receptor tyrosine kinase inhibitors for cancer therapy30
First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery29
Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward dru29
Cross-coupling reactions towards the synthesis of natural products28
Design, synthesis, and anticancer activity of novel 4-thiazolidinone-phenylaminopyrimidine hybrids27
Potential phytochemical inhibitors of SARS-CoV-2 helicase Nsp13: a molecular docking and dynamic simulation study27
Recent strategies in the synthesis of thiophene derivatives: highlights from the 2012–2020 literature26
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