AI Research

AI & ML Research Papers

A comprehensive index of artificial intelligence and machine-learning research with AI-generated summaries, citation metrics, and direct links to papers and code.

All Papers

2 papers

PreprintJournal of Medicinal Chemistry2013

QSAR Modeling: Where Have You Been? Where Are You Going To?

Artem R Cherkasov, Eugene N. Muratov, Denis Fourches, et al.

A comprehensive perspective on QSAR modeling's history, challenges, and best practices for building rigorously validated and externally predictive models.

2.2kDec 18, 2013

PreprintJournal of Cheminformatics2018

OPERA models for predicting physicochemical properties and environmental fate endpoints

Kamel Mansouri, Chris Grulke, Richard Judson, et al.

OPERA develops robust, OECD-compliant QSAR/QSPR models for 13 physicochemical and environmental fate endpoints using curated public data and a weighted k-nearest neighbor approach.

614Mar 8, 2018