Chemical Language Model Linker datasets
收藏官方服务：
资源简介：
The unfiltered version of the PubChem dataset used for evaluation in the Chemical Language Model Linker manuscript. The original dataset comes from the PubChem database. If you use this dataset, please see the PubChem download policies and citation guidelines. There are entires for 257,619 chemicals, each with the fields: description Name CID ANID SMILES SELFIES Relevant citations: S. Kim, J. Chen, T. Cheng, A. Gindulyte, J. He, S. He, Q. Li, B. A. Shoemaker, P. A. Thiessen, B. Yu, L. Zaslavsky, J. Zhang, E. E. Bolton, PubChem 2023 update. Nucleic Acids Research 51, D1373–D1380 (2023). Y. Deng, S. S. Ericksen, A. Gitter, Chemical Language Model Linker: blending text and molecules with modular adapters (2024)
提供机构：
Zenodo创建时间：
2024-06-14
