Quantitative structure–activity relationship analysis using deep learning based on a novel molecular image input technique

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Molecular Image ◽

A Molecular Image-Based Novel Quantitative Structure-Activity Relationship Approach, Deepsnap-Deep Learning and Machine Learning

Current Issues in Molecular Biology ◽

10.21775/cimb.042.455 ◽

2022 ◽

pp. 455-472

Author(s):

Yasunari Matsuzaka ◽

Yoshihiro Uesawa

Keyword(s):

Machine Learning ◽

Deep Learning ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Image ◽

Quantitative Structure-Activity Relationship Analysis of the Cation Permeability of the P2X2 Channel

Medicinal Chemistry ◽

10.2174/1573406053175210 ◽

2005 ◽

Vol 1 (2) ◽

pp. 109-115 ◽

Cited By ~ 3

Author(s):

Peter Mager ◽

Anje Weber ◽

Peter Illes

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Cation Permeability

A natural language processing approach based on embedding deep learning from heterogeneous compounds for quantitative structure–activity relationship modeling

Chemical Biology & Drug Design ◽

10.1111/cbdd.13742 ◽

2020 ◽

Vol 96 (3) ◽

pp. 961-972

Author(s):

Khalid Bouhedjar ◽

Abdelbasset Boukelia ◽

Abdelmalek Khorief Nacereddine ◽

Anouar Boucheham ◽

Amine Belaidi ◽

...

Keyword(s):

Deep Learning ◽

Natural Language Processing ◽

Natural Language ◽

Language Processing ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Processing Approach

In-silico Comparative Study and Quantitative Structure-activity Relationship Analysis of Some Structural Physiochemical Descriptors of Elvitegravir Analogs

Journal of Young Pharmacists ◽

10.4103/0975-1483.83776 ◽

2011 ◽

Vol 3 (3) ◽

pp. 246-249 ◽

Cited By ~ 3

Author(s):

R. Satpathy ◽

S. Ghosh

Keyword(s):

Comparative Study ◽

In Silico ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Quantitative Structure-Activity Relationship Analysis of the Substituent Effects on the Binding Affinity of Derivatives of Trimetazidine

Arzneimittelforschung ◽

10.1055/s-0031-1296930 ◽

2011 ◽

Vol 54 (01) ◽

pp. 9-14

Author(s):

Svetoslav Slavov ◽

Maria Djunlieva ◽

Sonia Ilieva ◽

Boris Galabov

Keyword(s):

Binding Affinity ◽

Substituent Effects ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Derivatives Of

Antileishmanial Chalcones: Statistical Design, Synthesis, and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980410m ◽

1998 ◽

Vol 41 (24) ◽

pp. 4819-4832 ◽

Cited By ~ 183

Author(s):

Simon Feldbæk Nielsen ◽

Søren Brøgger Christensen ◽

Gabriele Cruciani ◽

Arsalan Kharazmi ◽

Tommy Liljefors

Keyword(s):

Three Dimensional ◽

Statistical Design ◽

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Relationship Analysis ◽

ChemInform Abstract: Synthesis, Fungitoxicity and Quantitative Structure-Activity Relationship Analysis of O-Aryl O-Ethyl 2-Chloroethyl Phosphonates.

ChemInform ◽

10.1002/chin.199916173 ◽

2010 ◽

Vol 30 (16) ◽

pp. no-no

Author(s):

Atulya K. Panda ◽

N. K. Roy

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

The use of ladder particle swarm optimisation for quantitative structure–activity relationship analysis of human immunodeficiency virus-1 integrase inhibitors

Molecular Simulation ◽

10.1080/08927022.2011.586347 ◽

2011 ◽

Vol 37 (15) ◽

pp. 1221-1233 ◽

Cited By ~ 3

Author(s):

Mehdi Jalali-Heravi ◽

Heshmatollah Ebrahimi-Najafabadi

Keyword(s):

Human Immunodeficiency Virus ◽

Activity Relationship ◽

Quantitative Structure ◽

Integrase Inhibitors ◽

Relationship Analysis ◽

Structure Activity ◽

Immunodeficiency Virus ◽

Human Immunodeficiency Virus 1

Proposal of a New Binding Orientation for Non-Peptide AT1 Antagonists: Homology Modeling, Docking and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm060338p ◽

2006 ◽

Vol 49 (14) ◽

pp. 4305-4316 ◽

Cited By ~ 60

Author(s):

Tiziano Tuccinardi ◽

Vincenzo Calderone ◽

Simona Rapposelli ◽

Adriano Martinelli

Keyword(s):

Homology Modeling ◽

Three Dimensional ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

At1 Antagonists ◽

Binding Orientation

A quantitative structure-activity relationship analysis on a series of alkyl benzenes metabolized by human cytochrome P450 2E1

Journal of Biochemical and Molecular Toxicology ◽

10.1002/jbt.10055 ◽

2003 ◽

Vol 17 (1) ◽

pp. 47-52 ◽

Cited By ~ 14

Author(s):

David F. V. Lewis ◽

Craig Sams ◽

George D. Loizou

Keyword(s):

Cytochrome P450 ◽

Activity Relationship ◽

Cytochrome P450 2E1 ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Human Cytochrome ◽

Alkyl Benzenes