- Published
- 2021-03-30
- Venue
- Nucleic Acids Research, vol. 49, no. W1, pp. W5-W14
- Cited by
- 2,878
- Open access
- Yes, gold
- DOI
- 10.1093/nar/gkab255
- PubMed
- 33893803
Abstract
Because undesirable pharmacokinetics and toxicity of candidate compounds are the main reasons for the failure of drug development, it has been widely recognized that absorption, distribution, metabolism, excretion and toxicity (ADMET) should be evaluated as early as possible. In silico ADMET evaluation models have been developed as an additional tool to assist medicinal chemists in the design and optimization of leads. Here, we announced the release of ADMETlab 2.0, a completely redesigned version of the widely used AMDETlab web server for the predictions of pharmacokinetics and toxicity properties of chemicals, of which the supported ADMET-related endpoints are approximately twice the number of the endpoints in the previous version, including 17 physicochemical properties, 13 medicinal chemistry properties, 23 ADME properties, 27 toxicity endpoints and 8 toxicophore rules (751 substructures). A multi-task graph attention framework was employed to develop the robust and accurate models in ADMETlab 2.0. The batch computation module was provided in response to numerous requests from users, and the representation of the results was further optimized. The ADMETlab 2.0 server is freely available, without registration, at https://admetmesh.scbdd.com/.
Cite this paper
Formatted from the source metadata, not typed by hand. For a whole reference list, use the citation generator or ask your assistant through Find Research.
- APA 7
Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., Yin, M., Zeng, X., Wu, C., Lü, A., Chen, X., Hou, T., & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Research, 49(W1), W5–W14. https://doi.org/10.1093/nar/gkab255
- MLA 9
Xiong, Guo‐Li, et al. "ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties." Nucleic Acids Research, vol. 49, no. W1, 2021, pp. W5–W14, https://doi.org/10.1093/nar/gkab255.
- Chicago
Xiong, Guo‐Li, Zhenxing Wu, Jiacai Yi, Li Fu, Zhijiang Yang, Chang‐Yu Hsieh, Mingzhu Yin, et al. "ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties." Nucleic Acids Research 49, no. W1 (2021): W5–W14. https://doi.org/10.1093/nar/gkab255.
- GOST
Xiong G., Wu Z., Yi J. [и др.] ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties // Nucleic Acids Research. — 2021. — Vol. 49, № W1. — P. W5–W14. — URL: https://doi.org/10.1093/nar/gkab255
- BibTeX
@article{xiong2021admetlab, title = {{ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties}}, author = {Guo‐Li Xiong and Zhenxing Wu and Jiacai Yi and Li Fu and Zhijiang Yang and Chang‐Yu Hsieh and Mingzhu Yin and Xiangxiang Zeng and Chengkun Wu and Aiping Lü and Xiang Chen and Tingjun Hou and Dongsheng Cao}, journal = {Nucleic Acids Research}, year = {2021}, volume = {49}, number = {W1}, pages = {W5--W14}, doi = {10.1093/nar/gkab255}, url = {https://doi.org/10.1093/nar/gkab255} }- RIS
TY - JOUR AU - Xiong, Guo‐Li AU - Wu, Zhenxing AU - Yi, Jiacai AU - Fu, Li AU - Yang, Zhijiang AU - Hsieh, Chang‐Yu AU - Yin, Mingzhu AU - Zeng, Xiangxiang AU - Wu, Chengkun AU - Lü, Aiping AU - Chen, Xiang AU - Hou, Tingjun AU - Cao, Dongsheng TI - ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties JO - Nucleic Acids Research VL - 49 IS - W1 SP - W5 EP - W14 PY - 2021 DA - 2021/03/30 DO - 10.1093/nar/gkab255 UR - https://doi.org/10.1093/nar/gkab255 ER -
Ask Claude about this paper
Add Find Research to Claude or ChatGPT and ask in plain language. The assistant reads this record, finds the papers around it and cites only what it actually found:
- “Summarize doi:10.1093/nar/gkab255 and list its main limitations.”
- “Find newer studies that test the same question, with free PDFs.”
- “Cite this and five related papers in APA for my literature review.”
Setup takes about a minute: add the connector, then start the free trial.
Record from OpenAlex; open-access location from Unpaywall and the indexes. Find Research links only to legal copies.