Cheminformatics
Cheminformatics
Research Article
metrics
Revised
Machine learning models identify molecules active against the Ebola virus in vitro
[version 3; peer review: 2 approved]
Peer Reviewers
Sanja Glisic;
Sandeep Chakraborty
Method Article
metrics
Revised
Design of chemical space networks incorporating compound distance relationships
[version 2; peer review: 2 approved]
Peer Reviewers
Alexandre Varnek;
Gerhard Hessler
Data Note
metrics
Revised
High quality, small molecule-activity datasets for kinase research
[version 3; peer review: 2 approved]
Peer Reviewers
George Nicola;
Sorin Avram
Research Note
metrics
Peer Reviewers
Robert Sheridan;
Martin Vogt
Research Article
metrics
Revised
Molecular docking and molecular dynamics simulation study of inositol phosphorylceramide synthase – inhibitor complex in leishmaniasis: Insight into the structure based drug design
[version 2; peer review: 2 approved]
Peer Reviewers
François Ferron;
Vigneshwaran Namasivayam
Research Article
metrics
Revised
Analyzing compound activity records and promiscuity degrees in light of publication statistics
[version 2; peer review: 2 approved]
Peer Reviewers
Kimito Funatsu;
Hans Matter
Editorial
metrics
NOT PEER REVIEWED
On the evolving open peer review culture for chemical information science
[version 1; peer review: not peer reviewed]
Method Article
metrics
AnalogExplorer2 – Stereochemistry sensitive graphical analysis of large analog series
[version 1; peer review: 2 approved]
Peer Reviewers
Peter Ertl;
Carleton Sage
Data Note
metrics
Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry
[version 1; peer review: 3 approved]
Peer Reviewers
Alexandre Varnek;
Veer Shanmugasundaram;
Gerhard Müller
Research Article
metrics
Revised
Promiscuity progression of bioactive compounds over time
[version 2; peer review: 3 approved]
Peer Reviewers
Georgia B. McGaughey;
Christopher Southan;
John A. Lowe III