Cargando…

Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR

This chapter discusses recent developments in some of the areas that exploit the molecular similarity principle, novel approaches to capture molecular properties by the use of novel descriptors, focuses on a crucial aspect of computational models—their validity, and discusses additional ways to exam...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bender, Andreas, Jenkins, Jeremy L., Li, Qingliang, Adams, Sam E., Cannon, Edward O., Glen, Robert C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2006
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7185533/ https://www.ncbi.nlm.nih.gov/pubmed/32362803 http://dx.doi.org/10.1016/S1574-1400(06)02009-3

Ejemplares similares

Evaluation of QSAR Equations for Virtual Screening
por: Spiegel, Jacob, et al.
Publicado: (2020)

Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening
por: Durai, Prasannavenkatesh, et al.
Publicado: (2020)

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
por: Neves, Bruno J., et al.
Publicado: (2018)

Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology
por: Kuz’min, Victor E., et al.
Publicado: (2009)

Chapter 9: Conclusion
por: Newbold, D
Publicado: (2022)

Chapter 9 Presentations
por: Wallwork, Adrian, et al.
Publicado: (2020)

Beyond descriptor vectors: QSAR modelling using structural similarity
por: Zell, Andreas, et al.
Publicado: (2008)

In Silico Rational Design and Virtual Screening of Bioactive Peptides Based on QSAR Modeling
por: Mahmoodi-Reihani, Mehri, et al.
Publicado: (2020)

Chapter 9. Educational process
por: Richards, Guy A., et al.
Publicado: (2010)

Chapter 9 Pathogenic agents
por: Böhm, R.
Publicado: (2007)

DPubChem: a web tool for QSAR modeling and high-throughput virtual screening
por: Soufan, Othman, et al.
Publicado: (2018)

QSAR-Based Virtual Screening of Natural Products Database for Identification of Potent Antimalarial Hits
por: Ferreira, Letícia Tiburcio, et al.
Publicado: (2021)

Identification of Novel HBV/HDV Entry Inhibitors by Pharmacophore- and QSAR-Guided Virtual Screening
por: Kirstgen, Michael, et al.
Publicado: (2021)

Bioisosteric similarity of drugs in virtual screening
por: Hutter, Michael C, et al.
Publicado: (2010)

Methods for Similarity-based Virtual Screening
por: Kristensen, Thomas G., et al.
Publicado: (2013)

Chapter 9: Cryogenics for the HL-LHC
por: Claudet, S., et al.
Publicado: (2015)

Chapter 9: Cryogenics for the HL-LHC
por: Claudet, Serge, et al.
Publicado: (2020)

Chapter 9: Infection-related glomerulonephritis
Publicado: (2012)

Chapter 9 The Detection of Waterborne Viruses
por: Wyn-Jones, Peter
Publicado: (2007)

Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors
por: Zhou, Nannan, et al.
Publicado: (2015)

Validation of QSAR models for legislative purposes
por: Tichý, Miloň, et al.
Publicado: (2009)

Promising Aedes aegypti Repellent Chemotypes Identified through Integrated QSAR, Virtual Screening, Synthesis, and Bioassay
por: Oliferenko, Polina V., et al.
Publicado: (2013)

3D QSAR Studies, Pharmacophore Modeling and Virtual Screening on a Series of Steroidal Aromatase Inhibitors
por: Xie, Huiding, et al.
Publicado: (2014)

Chapter 9: Analyses Using Disease Ontologies
por: Shah, Nigam H., et al.
Publicado: (2012)

Chapter 9 Survey on Big Data Applications
por: Janev, Valentina, et al.
Publicado: (2020)

Fusing similarity rankings in ligand-based virtual screening
por: Willett, Peter
Publicado: (2013)

A Quantum-Based Similarity Method in Virtual Screening
por: Al-Dabbagh, Mohammed Mumtaz, et al.
Publicado: (2015)

Correction: Promising Aedes aegypti Repellent Chemotypes Identified through Integrated QSAR, Virtual Screening, Synthesis, and Bioassay
por: Oliferenko, Polina V., et al.
Publicado: (2014)

A Combined Pharmacophore Modeling, 3D QSAR and Virtual Screening Studies on Imidazopyridines as B-Raf Inhibitors
por: Xie, Huiding, et al.
Publicado: (2015)

QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors
por: Aouidate, Adnane, et al.
Publicado: (2018)

Bariatric Surgery Survey 2018: Similarities and Disparities Among the 5 IFSO Chapters
por: Angrisani, Luigi, et al.
Publicado: (2021)

On some aspects of validation of predictive QSAR models
por: Roy, K, et al.
Publicado: (2008)

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
por: Škuta, C., et al.
Publicado: (2020)

Chapter 9: Guide to use the infoLogger system
por: CERN. Geneva
Publicado: (2000)

Chapter 9 Fusion of Viral Envelopes with Cellular Membranes
por: Ohnishi, Shun-Ichi
Publicado: (1988)

QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction
por: Cortés-Ciriano, Isidro, et al.
Publicado: (2020)

Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies
por: Nikolic, Katarina, et al.
Publicado: (2016)

Virtual docking screening and QSAR studies to explore AKT and mTOR inhibitors acting on PI3K in cancers
por: Kandoussi, Ilham, et al.
Publicado: (2020)

Discovery of new TLR7 agonists by a combination of statistical learning-based QSAR, virtual screening, and molecular dynamics
por: Abiri, Ardavan, et al.
Publicado: (2021)

Identification of Influenza PA(N) Endonuclease Inhibitors via 3D-QSAR Modeling and Docking-Based Virtual Screening
por: Zhang, Chao, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_14o7h3gnmn4nrobk4onlnklrnc