Cloud 3D-QSAR: a web tool for the development of quantitative structure–activity relationship models in drug discovery
YL Wang, F Wang, XX Shi, CY Jia, FX Wu… - Briefings in …, 2021 - academic.oup.com
Effective drug discovery contributes to the treatment of numerous diseases but is limited by
high costs and long cycles. The Quantitative Structure–Activity Relationship (QSAR) method …
high costs and long cycles. The Quantitative Structure–Activity Relationship (QSAR) method …
4D-quantitative structure–activity relationship modeling: making a comeback
D Fourches, J Ash - Expert opinion on drug discovery, 2019 - Taylor & Francis
ABSTRACT Introduction: Predictive Quantitative Structure–Activity Relationship (QSAR)
modeling has become an essential methodology for rapidly assessing various properties of …
modeling has become an essential methodology for rapidly assessing various properties of …
The advancement of multidimensional QSAR for novel drug discovery-where are we headed?
T Wang, X Yuan, MB Wu, JP Lin… - Expert opinion on drug …, 2017 - Taylor & Francis
ABSTRACT Introduction: The Multidimensional quantitative structure− activity relationship
(multidimensional-QSAR) method is one of the most popular computational methods …
(multidimensional-QSAR) method is one of the most popular computational methods …
[HTML][HTML] Comprehensive ensemble in QSAR prediction for drug discovery
Background Quantitative structure-activity relationship (QSAR) is a computational modeling
method for revealing relationships between structural properties of chemical compounds …
method for revealing relationships between structural properties of chemical compounds …
The recent trend in QSAR modeling-variable selection and 3D-QSAR methods
M Arakawa, K Hasegawa… - Current Computer-Aided …, 2007 - ingentaconnect.com
Quantitative structure-activity relationships (QSAR) are one of the most important
methodologies for rational drug design. In QSAR, compounds are represented by chemical …
methodologies for rational drug design. In QSAR, compounds are represented by chemical …
An analysis of QSAR research based on machine learning concepts
MR Keyvanpour, MB Shirzad - Current Drug Discovery …, 2021 - ingentaconnect.com
Quantitative Structure–Activity Relationship (QSAR) is a popular approach developed to
correlate chemical molecules with their biological activities based on their chemical …
correlate chemical molecules with their biological activities based on their chemical …
QSAR modeling: where have you been? Where are you going to?
A Cherkasov, EN Muratov, D Fourches… - Journal of medicinal …, 2014 - ACS Publications
Quantitative structure–activity relationship modeling is one of the major computational tools
employed in medicinal chemistry. However, throughout its entire history it has drawn both …
employed in medicinal chemistry. However, throughout its entire history it has drawn both …
New workflow for QSAR model development from small data sets: Small dataset curator and small dataset modeler. Integration of data curation, exhaustive double …
P Ambure, A Gajewicz-Skretna… - Journal of Chemical …, 2019 - ACS Publications
Quantitative structure–activity relationship (QSAR) modeling is a well-known in silico
technique with extensive applications in several major fields such as drug design, predictive …
technique with extensive applications in several major fields such as drug design, predictive …
Recent advances in multidimensional QSAR (4D-6D): a critical review
M G. Damale, S N. Harke… - Mini reviews in …, 2014 - benthamdirect.com
The quantitative structure activity relationship (QSAR) study is the most cited and reliable
computational technique used for decades to obtain information about a substituent's …
computational technique used for decades to obtain information about a substituent's …
Quantitative structure–activity relationship: promising advances in drug discovery platforms
T Wang, MB Wu, JP Lin, LR Yang - Expert opinion on drug …, 2015 - Taylor & Francis
Introduction: Quantitative structure–activity relationship (QSAR) modeling is one of the most
popular computer-aided tools employed in medicinal chemistry for drug discovery and lead …
popular computer-aided tools employed in medicinal chemistry for drug discovery and lead …