Work

Highly Precise Prediction of Micro‐ and Supra‐p K a Based on 3D Descriptors Integrating Non‐Covalent Interactions

Year: 2025

Type: article

Source: Angewandte Chemie International Edition

DOI: 10.1002/anie.202424069

Authors: Siyuan Liu, Qi Yang, Long Zhang, Sanzhong Luo

Institution: Tsinghua University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, National Key Research and Development Program of China

Awards: G1094391864, G7025558710, G7736194190, G8176850936

OpenAlex ID: W4407129630

FWCI: 6.767

Cites: 65

Cited by: 14

Related to: 10