Search Result "2d fingerprints"


Advanced Fingerprint Methods for Similarity Searching: Balancing Molecular Complexity Effects

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 3 Year: 2010 Page: 220-228
Author(s): Yuan Wang, Jurgen Bajorath

Research Article

Fingerprint-based 2D-QSAR Models for Predicting Bcl-2 Inhibitors Affinity

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 1 Year: 2020 Page: 1206-1215
Author(s): Said Byadi,Hachim Mouhi Eddine,Karima Sadik,Črtomir Podlipnik,Aziz Aboulmouhajir

Research Article

Molecular Docking, 3D-QSAR, Fingerprint-Based 2D-QSAR, Analysis of Pyrimidine, and Analogs of ALK (Anaplastic Lymphoma Kinase) Inhibitors as an Anticancer Agent

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 5 Year: 2021 Page: 509-521
Author(s): Vivek Yadav,Rajiv Kumar Tonk,Ramchander Khatri

Fingerprinting Polymer Microarrays

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 7 Year: 2009 Page: 690-696
Author(s): Guilhem Tourniaire, Juan J. Diaz-Mochon, Mark Bradley

Research Article

Identifying the Structural Features of Diphenyl Ether Analogues for InhA Inhibition: A 2D and 3D QSAR Based Study

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 1 Year: 2020 Page: 31-47
Author(s): Ashutosh Prasad Tiwari,Varadaraj Bhat Giliyar,Gurypur Gautham Shenoy,Vandana Kalwaja Eshwara

Systematic Comparison of the Performance of Different 2D and 3D Ligand-Based Virtual Screening Methodologies to Discover Anticonvulsant Drugs

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 387-398
Author(s):

Recent Developments in Chromatographic Fingerprints from Herbal Products: Set-Up and Data Analysis

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 1 Year: 2010 Page: 900-922
Author(s): Goedele Alaerts, Bieke Dejaegher, Johanna Smeyers-Verbeke, Yvan Vander Heyden

Reverse Fingerprinting and Mutual Information-Based Activity Labeling and Scoring (MIBALS)

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 424-439
Author(s): Chris Williams, Suzanne K. Schreyer

A Review on Principles, Theory and Practices of 2D-QSAR

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 346-379
Author(s): Kunal Roy,Rudra Narayan Das

Research Article

Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 1 Year: 2019 Page: 1092-1120
Author(s): Fateme Azimi,Jahan B. Ghasemi,Lotfollah Saghaei,Farshid Hassanzadeh,Mohammad Mahdavi,Hojjat Sadeghi-Aliabadi,Marcus T. Scotti,Luciana Scotti

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