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AVIFAVIR for Treatment of Patients With Moderate Coronavirus Disease 2019 (COVID-19): Interim Results of a Phase II/III Multicenter Randomized Clinical Trial

In the pilot stage of Phase II/III clinical trial, AVIFAVIR enabled SARS-CoV-2 viral clearance in 62.5% of patients within 4 days, and was safe and well-tolerated.
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Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions

Support Vector Machines is used for estimating the activity of Carbonic Anhydrase II (CA II) enzyme inhibitors and it is found that the prediction quality of the SVM model is better than that reported earlier for conventional QSAR.
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In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions.

A critical discussion of in silico models for the prediction of DMSO and water solubility of drug-like compounds used for virtual screening and main tendencies in the field, "booming" approaches and unsolved problems are provided.
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Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques.

This study illustrates that patch clamping data from various literature sources can be combined to generate valid models of hERG inhibition for prospective predictions, and the Sammon map model provided the best qualitative classification of the test set compared with the Kohonen map model, and was superior to the consensus approach.
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Property-Based Design of GPCR-Targeted Library

The method enables efficient qualification or disqualification of a molecule as a potential GPCR ligand and represents a useful tool for constraining the size of G PCR-targeted libraries that will help speed up the development of new GPCC-active drugs.
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New Diversity Calculations Algorithms Used for Compound Selection

The article describes the new algorithm for the selection of heterocyclic compounds, suitable for the work with large databases on personal computers, which uses cosine similarity metric.
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Focused chemistry from annotated libraries

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Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach.

A computational algorithm for evaluating the possibility of cytochrome P450-mediated metabolic transformations that xenobiotics molecules undergo in the human body and built a nonlinear quantitative structure-metabolism relationships (QSMR) model based on Kohonen self-organizing maps (SOM).
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Rational design approaches to chemical libraries for hit identification.

An overview of selected advances in computational algorithms for the rational selection of molecule libraries for the synthesis, with emphasis on structure-based approaches, including a fusion of scaffold-linking method and combinatorial library design, pharmacophore matching and informative libraryDesign, and search by 3-D tree topological descriptors.
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Effect of Aprotinin and Avifavir® Combination Therapy for Moderate COVID-19 Patients

The combination therapy showed 100% efficacy in preventing the transfer of patients to the intensive care unit (ICU) in cohorts 1–3 and the effect of the combination therapy in cohort 3 was the most prominent.
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