Work

From SMILES to Enhanced Molecular Property Prediction: A Unified Multimodal Framework with Predicted 3D Conformers and Contrastive Learning Techniques

Year: 2024

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.4c01240

Authors: Long D. Nguyen, Quang H. Nguyen, Quang H. Trinh, Binh P. Nguyen

Institutions: Trường Đại học Khoa học và Công nghệ Hà Nội, Hanoi University of Science and Technology, Victoria University of Wellington

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funder: Ministry of Business, Innovation and Employment

Award: An artificial intelligence framework for development of novel selective kinase inhibitors

OpenAlex ID: W4405114258

FWCI: 4.673

Cites: 62

Cited by: 24

Related to: 10