Work

Stacking Gaussian processes to improve $$pK_a$$ predictions in the SAMPL7 challenge

Year: 2021

Type: article

Source: Journal of Computer-Aided Molecular Design

DOI: 10.1007/s10822-021-00411-8

Authors: Robert M. Raddi, Vincent A. Voelz

Institution: Temple University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

Funders: National Institutes of Health, University of California, Irvine, National Institute of General Medical Sciences

Awards: G7589035627, G834416952, G9000037618, G9000148565

OpenAlex ID: W3164290298

FWCI: 0.393

Cites: 36

Cited by: 8

Related to: 10