Search Result "ChEMBL"


QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 414-428
Author(s): Esvieta Tenorio-Borroto,Fabiola Rivera Ramirez,Alejandro Speck-Planche,M. Natalia D. S. Cordeiro,Feng Luan,Humberto Gonzalez-Diaz

Research Article

Determination of Novel SARS-CoV-2 Inhibitors by Combination ofMachine Learning and Molecular Modeling Methods

Journal: Medicinal Chemistry
Volume: 20 Issue: 2 Year: 2024 Page: 153-231
Author(s):

Research Article

Scoring Ligand Efficiency: Potency, Ligand Efficiency and Product Ligand Efficiency within Big Data Landscape

Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 11 Year: 2019 Page: 1258-1263
Author(s): Jaroslaw Polanski,Anna Pedrys,Roksana Duszkiewicz,Johann Gasteiger

Drug-Likeness and Increased Hydrophobicity of Commercially Available Compound Libraries for Drug Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 14 Year: 2012 Page: 1500-1513
Author(s): Johannes Zuegg,Matthew A. Cooper

Multiscale Mapping of AIDS in U.S. Countries vs Anti-HIV Drugs Activity with Complex Networks and Information Indices

Journal: Current Bioinformatics
Volume: 10 Issue: 5 Year: 2015 Page: 639-657
Author(s): Diana Maria Herrera-Ibata,Ricardo Alfredo Orbegozo-Medina,Humberto Gonzalez-Diaz

Update of QSAR & Docking & Alignment Studies of the DNA Polymerase Inhibitors

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 472-482
Author(s): Isela Garcia

Review of Bioinformatics and QSAR Studies of β-Secretase Inhibitors

Journal: Current Bioinformatics
Volume: 6 Issue: 1 Year: 2011 Page: 3-15
Author(s): Francisco Prado-Prado, Manuel Escobar-Cubiella, Xerardo Garcia-Mera

Multi-output Model with Box-Jenkins Operators of Quadratic Indices for Prediction of Malaria and Cancer Inhibitors Targeting Ubiquitin- Proteasome Pathway (UPP) Proteins

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 3 Year: 2016 Page: 220-227
Author(s): Gerardo M. Casañola-Martin,Huong Le-Thi-Thu,Facundo Pérez-Giménez,Yovani Marrero-Ponce,Matilde Merino-Sanjuán,Concepción Abad,Humberto González-Díaz

Opinion Article

Potential uses of Topical Resiquimod for Mycosis Fungoides Tumor Stage

Journal: Current Organocatalysis
Volume: 11 Issue: 1 Year: 2024 Page: 2-6
Author(s):

Tuning hERG Out: Antitarget QSAR Models for Drug Development

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1399-1415
Author(s): Rodolpho C. Braga,Vinicius M. Alves,Meryck F.B. Silva,Eugene Muratov,Denis Fourches,Alexander Tropsha,Carolina H. Andrade

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