Search Result "MACCS fingerprint"
In Silico Based Structural and Fingerprint Analysis of Structurally Diverse AT1 inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 1 Year: 2021 Page: 93-103
Author(s): Narayana Subbiah Hari Narayana Moorthy
Development of Machine Learning Based Blood-brain Barrier Permeability Prediction Models Using Physicochemical Properties, MACCS and Substructure Fingerprints
Journal: Current Bioinformatics
Volume: 16 Issue: 6 Year: 2021 Page: 855-864
Author(s): Deeksha Saxena,Anju Sharma,Mohammed Haris Siddiqui,Rajnish Kumar
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
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
Classification of Active and Weakly Active ST Inhibitors of HIV-1 Integrase Using a Support Vector Machine
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 1 Year: 2012 Page: 792-805
Author(s): Aixia Yan, Shouyi Xuan, Xiaoying Hu
Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative
Journal: Current Pharmaceutical Design
Volume: 22 Issue: 33 Year: 2016 Page: 5095-5113
Author(s): Oscar MartÃnez-Santiago,Reisel Millán Cabrera,Yovani Marrero-Ponce,Stephen J. Barigye,Huong Le-Thi-Thu,F. Javier Torres,Cesar H. Zambrano,Ivan Yaber-Goenaga,Maykel Cruz-Monteagudo,Yoan MartÃnez López,Facundo Pérez Giménez,Francisco Torrens
Molecular Descriptors and Methods for Ligand Based Virtual High Throughput Screening in Drug Discovery
Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2099-2110
Author(s): Alfonso Pozzan
Pharmacophore Modeling in Drug Discovery and Development: An Overview
Journal: Medicinal Chemistry
Volume: 3 Issue: 2 Year: 2007 Page: 187-197
Author(s): Santosh A. Khedkar, Alpeshkumar K. Malde, Evans C. Coutinho, Sudha Srivastava
Classification of Aurora B Kinase Inhibitors Using Computational Models
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 2 Year: 2014 Page: 114-123
Author(s): Ruizi Liu,Xianglei Nie,Min Zhong,Xiaoli Hou,Shouyi Xuan,Aixia Yan
Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 227-234
Author(s): Jahan B. Ghasemi,Fereshteh Shiri,Somayeh Pirhadi,Zahra Heidari