分类: 药物科学 >> 药物设计 提交时间: 2024-05-13
摘要: As key oncogenic drivers in non-small-cell lung cancer (NSCLC), various mutations in the epidermal growth factor receptor (EGFR) with variable drug sensitivities have been a major obstacle for precision medicine. To achieve clinical-level drug recommendations, a platform for clinical patient case retrieval and reliable drug sensitivity prediction is highly expected. Therefore, we built a database, D3EGFRdb, with the clinicopathologic characteristics and drug responses of 1,339 patients with EGFR mutations via literature mining. On the basis of D3EGFRdb, we developed a deep learning-based prediction model, D3EGFRAI, for drug sensitivity prediction of new EGFR mutation-driven NSCLC. Model validations of D3EGFRAI showed a prediction accuracy of 0.81 and 0.85 for patients from D3EGFRdb and our hospitals, respectively. Furthermore, mutation scanning of the crucial residues inside drug-binding pockets, which may occur in the future, was performed to explore their drug sensitivity changes. D3EGFR is the first platform to achieve clinical-level drug response prediction of all approved small molecule drugs for EGFR mutation-driven lung cancer and is freely accessible at https://www.d3pharma.com/D3EGFR/index.php.
分类: 光学 >> 量子光学 提交时间: 2023-02-19
摘要: We study the effect of the strain on the energy bands of TaIrTe4 sheet and the photocurrent in the Cu-TaIrTe4-Cu heterojunction by using the quantum transport simulations. It is found that the Weyl points can be completely broken with increasing of the strain along z dirction. One can obtain a large photocurrent in the Cu-TaIrTe4-Cu heterojunction in the absence of the strain. While the photocurrent can be sharply enhanced by the strain and reach a large value. Accordingly, the maximum values of the photocurrent can be explained in terms of the transitions between peaks of density of states and band structures. The strain-induced energy bands and photocurrent exhibit anisotropic behaviors. Our results provide a novel route to effectively modulate the energy bands and the photocurrent by utilizing mechanical methods for TaIrTe4-based devices.