Cover Image. - Sara Tortorella; Emanuele Carosati; Giulia Sorbi; Giovanni Bocci; Simon Cross; Gabriele Cruciani; Loriano Storchi (J. Comput. Chem., 2021)

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. - Sara Tortorella; Emanuele Carosati; Giulia Sorbi; Giovanni Bocci; Simon Cross; Gabriele Cruciani; Loriano Storchi (J. Comput. Chem., 2021)

DrugCentral 2021 supports drug discovery and repositioning. - Sorin I. Avram; Cristian Bologa; Jayme Holmes; Giovanni Bocci; Thomas B. Wilson; Dac-Trung Nguyen; Ramona Curpan; Liliana Halip; Alina Bora; Jeremy J. Yang; Jeffrey Knockel; Suman Sirimulla; et al. (Nucleic Acids Res., 2021)

TCRD and Pharos 2021: mining the human proteome for disease biology. - Timothy Sheils; Stephen L. Mathias; Keith J. Kelleher; Vishal B. Siramshetty; Dac-Trung Nguyen; Cristian Bologa; Lars Juhl Jensen; Dusica Vidovic; Amar Koleti; Stephan C. Schürer; Anna Waller; Jeremy J. Yang; et al. (Nucleic Acids Res., 2021)

A machine learning platform to estimate anti-SARS-CoV-2 activities. - Govinda B. Kc; Giovanni Bocci; Srijan Verma; Md Mahmudulla Hassan; Jayme Holmes; Jeremy J. Yang; Suman Sirimulla; Tudor I. Oprea (Nat. Mach. Intell., 2021)