Technical implications of new IUPAC elements in cheminformatics. - John W. Mayfield; Roger A. Sayle (J. Cheminformatics, 2017)

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. - Egon L. Willighagen; John W. Mayfield; Jonathan Alvarsson; Arvid Berg; Lars Carlsson; Nina Jeliazkova; Stefan Kuhn 001; Tomás Pluskal; Miquel Rojas-Chertó; Ola Spjuth; Gilleain M. Torrance; Chris T. A. Evelo; et al. (J. Cheminformatics, 2017)

Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. - Egon L. Willighagen; John W. Mayfield; Jonathan Alvarsson; Arvid Berg; Lars Carlsson; Nina Jeliazkova; Stefan Kuhn 001; Tomás Pluskal; Miquel Rojas-Chertó; Ola Spjuth; Gilleain M. Torrance; Chris T. A. Evelo; et al. (J. Cheminformatics, 2017)

Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation. - Robert M. Hanson; Sophia Musacchio; John W. Mayfield; Mikko J. Vainio; Andrey Yerin; Dmitry Redkin (J. Chem. Inf. Model., 2018)

An Extended Overview of the CLEF 2020 ChEMU Lab: Information Extraction of Chemical Reactions from Patents. - Jiayuan He 002; Dat Quoc Nguyen; Saber A. Akhondi; Christian Druckenbrodt; Camilo Thorne; Ralph Hoessel; Zubair Afzal; Zenan Zhai; Biaoyan Fang; Hiyori Yoshikawa; Ameer Albahem; Jingqi Wang; et al. (CLEF (Working Notes), 2020)

Extraction of Reactions from Patents using Grammars. - Daniel M. Lowe; John Mayfield 002 (CLEF (Working Notes), 2020)

ZINC20 - A Free Ultralarge-Scale Chemical Database for Ligand Discovery. - John J. Irwin; Khanh G. Tang; Jennifer Young; Chinzorig Dandarchuluun; Benjamin R. Wong; Munkhzul Khurelbaatar; Yurii S. Moroz; John W. Mayfield; Roger A. Sayle (J. Chem. Inf. Model., 2020)