Search Result "drug substructure fingerprint"
Relating Substructures and Side Effects of Drugs with Chemical-chemical Interactions
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 4 Year: 2020 Page: 285-294
Author(s): Bo Zhou,Xian Zhao,Jing Lu,Zuntao Sun,Min Liu,Yilu Zhou,Rongzhi Liu,Yihua Wang
A Systematic Prediction of Drug-Target Interactions Using Molecular Fingerprints and Protein Sequences
Journal: Current Protein & Peptide Science
Volume: 19 Issue: 5 Year: 2018 Page: 468-478
Author(s): Yu-an Huang,Zhu-hong You,Xing Chen
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
The Use of Weighted 2D Fingerprints in Similarity-Based Virtual Screening
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Shereena M. Arif,John D. Holliday,Peter Willett
Doi: 10.2174/9781608059287114010009
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
The Use of Weighted 2D Fingerprints in Similarity- Based Virtual Screening
Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Shereena M. Arif,John D. Holliday,Peter Willett
Doi: 10.2174/9781681081977115010009
Recent Studies on Similarity Measures and its Applications to Chemoinformatics and Drug Design
Ebook: Recent Trends on QSAR in the Pharmaceutical Perceptions
Volume: 1 Year: 2012
Author(s): Alan Talevi,Eduardo A. Castro,Luis E. Bruno-Blanch
Doi: 10.2174/978160805379711201010272
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
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
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