A novel descriptor based on atom-pair properties

A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships

(2016) Sagarika Sahoo et al.   Current Computer-Aided Drug Design

Molecular graph convolutions: moving beyond fingerprints

(2016) Steven Kearnes et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A Study of Applications of Machine Learning Based Classification Methods for Virtual Screening of Lead Molecules

(2015) Renu Vyas et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Atom Environment Kernels on Molecules

(2014) Hiroshi Yamashita et al.   Journal of Chemical Information and Modeling

Descriptor Selection Methods in Quantitative Structure–Activity Relationship Studies: A Review Study

(2013) Mohsen Shahlaei   CHEMICAL REVIEWS

LIBSVM

(2012) Chih-Chung Chang et al.   ACM Transactions on Intelligent Systems and Technology

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Graph kernels based on tree patterns for molecules

(2008) Pierre Mahé et al.   MACHINE LEARNING