Predictive performance and QSPR analysis of SARS-CoV-2 and tuberculosis drugs using distance-based topological descriptors. [PDF]
Sci RepSupriya, Iyer RR.
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Degree-based Inverse Prodeg indices linking graph theory and cheminformatics with sharp results and QSPR modeling. [PDF]
Sci RepAlsharafi M, Zeren Y.
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Predicting properties of antifungal drug molecules using neighborhood degree topological indices. [PDF]
Sci RepAlmulla AA +4 more
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Integrating Machine Learning Approaches and Topological Indices for Prediction of Electronic Properties in Anticancer Drugs. [PDF]
ACS OmegaKour S, Sankar JR.
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QSPR analysis of the drugs used to treat major depressive disorder using degree and neighborhood degree based indices. [PDF]
Front ChemGodlin JJJ, Radha S.
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Toxicokinetic-Informed Evidential Learning for Applicability-Domain-Aware QSAR/QSPR Prediction of Environmental Contaminant Toxicity. [PDF]
MoleculesHuang X, Zheng J, Zheng Z, Xu W.
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Artificial Intelligence and Natural Photosensitizer-Based Nanopharmaceuticals in Photodynamic Therapy: Advanced Modeling, Data-Driven Optimization, and Translational Perspectives. [PDF]
PharmaceuticsGonçalves RS, Costa EV.
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Exploring anticancer drug structures through vertex based resolving parameters. [PDF]
Sci RepChaudhry F +4 more
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Predictive modeling and ranking of physicochemicals in <i>Aegle marmelos</i> using topological indices and multi-criteria decision-making techniques. [PDF]
Front ChemBhandari AN, B J.
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Impact of Preclinical Verification in Physiologically Based Pharmacokinetic Modelling for First-in-Human Predictions: Application of a Published Model Building Strategy for Five Compounds. [PDF]
Clin PharmacokinetJackson C +3 more
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