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55. 15-hydroxy-6α,12-epoxy-7β,10αH,11βH-spiroax-4-ene-12-one sensitizes rectal tumor cells to anti-PD1 treatment through agonism of CD11b

56. Additional file 1 of Blood–brain barrier penetration prediction enhanced by uncertainty estimation

58. Targeted creation of new mutants with compact plant architecture using CRISPR/Cas9 genome editing by an optimized genetic transformation procedure in cucurbit plants

62. Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation

63. Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs

64. Drug target inference by mining transcriptional data using a novel graph convolutional network framework

66. Generative Models for De Novo Drug Design

68. Additional file 1 of A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling

71. Cytoplasmic DNA sensing by KU complex in aged CD4+ T cell potentiates T cell activation and aging-related autoimmune inflammation

73. Reversible posterior leukoencephalopathy syndrome induced by apatinib: a case report and literature review

74. Single Calibration Technique of Autocorrelator Based on a Flat Crystal

76. inductive graph neural network model for compound–protein interaction prediction based on a homogeneous graph.

85. Computational target fishing by mining transcriptional data using a novel Siamese spectral-based graph convolutional network

86. Automated design and optimization of multitarget schizophrenia drug candidates by deep learning

87. Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model

88. Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki–Miyaura cross-coupling reaction

90. Research on Turnout Fault Diagnosis Methods Based on K-means and ABC-RBF

91. Single Calibration Technique of Autocorrelator Based on a Flat Crystal

92. Reversible posterior leukoencephalopathy syndrome induced by apatinib: a case report and literature review

94. Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation

95. Fatty-acid receptor CD36 functions as a hydrogen sulfide-targeted receptor with its Cys333-Cys272 disulfide bond serving as a specific molecular switch to accelerate gastric cancer metastasis

96. KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules

99. Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family

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