1.Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions

Shen, C, Hu, Y, Wang     More...

Shen, C, Hu, Y, Wang, Z, Zhang, XJ, Zhong, HY, Wang, GA, Yao, XJ, Xu, L, Cao, DS, Hou, TJ     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463], Published 2021, Volume 22, Issue 1, Pages 497-514

收錄情况： WOS

WOS核心合集引用: 47  2022影響因子:  9.5  发表年影響因子:  13.994 

2.Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?

Shen, C, Weng, GQ, Z     More...

Shen, C, Weng, GQ, Zhang, XJ, Leung, ELH, Yao, XJ, Pang, JP, Chai, X, Li, D, Wang, EC, Cao, DS, Hou, TJ     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463], Published 2021, Volume 22, Issue 5,

收錄情况： WOS SCOPUS

WOS核心合集引用: 26  2022影響因子:  9.5  发表年影響因子:  13.994 

3.MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

Bai, QF, Tan, SY, Xu     More...

Bai, QF, Tan, SY, Xu, TY, Liu, HX, Huang, JZ, Yao, XJ     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463], Published 2021, Volume 22, Issue 3,

收錄情况： WOS SCOPUS

WOS核心合集引用: 120  2022影響因子:  9.5  发表年影響因子:  13.994 

4.TrimNet: learning molecular representation from triplet messages for biomedicine

Li, PY, Li, YQ, Hsie     More...

Li, PY, Li, YQ, Hsieh, CY, Zhang, SY, Liu, XG, Liu, HX, Song, S, Yao, XJ     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463], Published 2021, Volume 22, Issue 4,

收錄情况： WOS SCOPUS

WOS核心合集引用: 28  2022影響因子:  9.5  发表年影響因子:  13.994 

5.An effective self-supervised framework for learning expressive molecular global representations to drug discovery

Li, PY, Wang, J, Qia     More...

Li, PY, Wang, J, Qiao, YX, Chen, H, Yu, YH, Yao, XJ, Gao, P, Xie, GT, Song, S     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463], Published 2021, Volume 22, Issue 6,

收錄情况： WOS SCOPUS

WOS核心合集引用: 43  2022影響因子:  9.5  发表年影響因子:  13.994 

6.Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power

Shen, C, Wang, Z, Ya     More...

Shen, C, Wang, Z, Yao, XJ, Li, YY, Lei, TL, Wang, EC, Xu, L, Zhu, F, Li, D, Hou, TJ     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463], Published 2020, Volume 21, Issue 1, Pages 282-297

收錄情况： WOS

WOS核心合集引用: 27  2022影響因子:  9.5  发表年影響因子:  11.622 

7.Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism

Tian, YA, Wang, XR,     More...

Tian, YA, Wang, XR, Yao, XJ, Liu, HX, Yang, Y     Less

BRIEFINGS IN BIOINFORMATICS[1467-5463],

收錄情况： WOS

WOS核心合集引用: 3  2022影響因子:  9.5