Hi emsel,

I am pleased to inform you that emsel member SangYoun (Ph.D student)​/Shahzeb (Ph.D. candidate) and Dr. Heo's paper has been accepted for publication in Chemosphere (IF=8.8, JCR 12%). Famous journal in chemicals in the environment​ & Environmental Chemistry​.

- Explainable multi-encoder S2T transformer model for structure–property relationship (QSPR)  

-Keywords: Multi-encoder transformer structure; Attention mechanism; Quantitative structure-activity/property 35 relationship; Molecular descriptor; SMILES  

Please give your big hands to SY/Shahzeb and Dr. Heo. A patent will be applied soon (SY).

Congratulation indeed.

 김상윤 박사과정 학생과 Shahzeb통합과정 그리고 허성구 박사 논문이 Chemosphere​(ISSN: 0045-6535​, SCIE, IF8.8/JCR TOP 12%)​저널에 게재 승인되었습니다.​

Deep learning중  Explainable multi-encoder S2T​ransformer기반 PCB/EDC 유해화학물질 물성치 예측 모델 및 평가 (structure–property relationship (QSPR)  

1) input​: SMILES and molecular descriptors 

2) model: attention-based S2T-transformer model framework for modeling the relationship between the molecular structure and toxicity of hazardous chemicals 

3) output: predict Log Kow/Koc, BCF using S2T-transformer model (설명가능 weight attention 기능).​

Chemosphere​저널은 환경화학(Environmental Chemistry​)분야 좋은 저널중 하나로 Chemosphere​​ 저널논문 게재 축하합니다. 

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다양한 유해화학물질 물성치 및 추후 위해성 평가 예측에 사용가능하며 곧 특허출원 예정입니다. 축하합니다.

 SangYoun Kim^*, Shahzeb Tariq^*, SungKu Heo, ChangKyoo Yoo^*, Interpretable attention-based multi-encoder transformer based QSPR model for assessing toxicity and environmental impact of chemicals, Chemosphere​(ISSN: 0045-6535​, SCIE, IF 8.9/JCR TOP 12%), Elsevier,, Elsevier, 350(2), pp.141086 (2024.02) (Ack 3개: BK21, CC graduate school, 2021R1A2C2007838)

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