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38 results on '"Eugene N Muratov"'

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1. Artificial intelligence systems for the design of magic shotgun drugs

2. Deep Learning-driven research for drug discovery: Tackling Malaria.

3. Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents.

4. Selene-Ethylenelacticamides and N-Aryl-Propanamides as Broad-Spectrum Leishmanicidal Agents

5. Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

6. BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees

7. COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug–Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19

8. Synergistic and Antagonistic Drug Combinations against SARS-CoV-2

10. Synthesis and structure activity relationships of DCLK1 kinase inhibitors based on a 5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one scaffold

11. Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

12. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

13. QSAR without borders

14. Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors

15. Progress towards a public chemogenomic set for protein kinases and a call for contributions

16. Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards

17. Computer-Aided Discovery of Two Novel Chalcone-Like Compounds Active and Selective Against Leishmania infantum

18. Progress Towards a Public Chemogenomic Set for Protein Kinases and a Call for Contributions

19. Alarms about structural alerts

20. QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

21. CERAPP: Collaborative estrogen receptor activity prediction project

22. Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

23. Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

24. Short Communication: Cheminformatics Analysis to Identify Predictors of Antiviral Drug Penetration into the Female Genital Tract

25. Expanding the scope of drug repurposing in pediatrics: The Children's Pharmacy Collaborative™

26. QSAR Modeling: Where Have You Been? Where Are You Going To?

29. One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening

31. A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents

32. BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees

33. Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

34. QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

35. QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities

36. Chalcone Derivatives: Promising Starting Points for Drug Design

37. Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards

38. QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

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