Multitask Deep Ensemble Prediction of Molecular Energetics in Solution: From Quantum Mechanics to Experimental Properties. | J Chem Theory Comput;2023 Jan 06. | MEDLINE

Main content 1 Search 2 Footer 3

+A A -A High contrast

VHL Regional Portal

Information and Knowledge for Health

Subject descriptor lookup Advanced Search EVID@Easy

Multitask Deep Ensemble Prediction of Molecular Energetics in Solution: From Quantum Mechanics to Experimental Properties.

Xia, Song; Zhang, Dongdong; Zhang, Yingkai.

Affiliation

Xia S; Department of Chemistry, New York University, New York, New York10003, United States.
Zhang D; Department of Chemistry, New York University, New York, New York10003, United States.
Zhang Y; Department of Chemistry, New York University, New York, New York10003, United States.

J Chem Theory Comput ; 2023 Jan 06.

Article in En | MEDLINE | ID: mdl-36607141

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: United States Country of publication: United States

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: United States Country of publication: United States