抗体成药性预测¶
抗体成药性预测可以从抗体序列预测多个关键的成药性特性，包括表达量、热稳定性、聚集性、粘度、免疫原性等。它可以在抗体设计早期就进行成药性评估和优化。
功能亮点¶
- 全面的预测：预测多种关键的成药性特性，范围广泛。
- 领先的算法：采用大语言模型和几何深度学习等先进的深度学习技术，预测性能优于基准模型。
- 方便使用：只需要输入抗体序列，无需进行结构建模或复杂配置。
输入¶
在项目编辑器中，从“抗体工程”下拉菜单选择“抗体成药性预测”，提交任务。
-
抗体序列：FASTA格式的抗体序列。您可以直接输入序列，或点击“
”上传FASTA文件。抗体需包含重链和轻链，并分别标记为_H和_L。 -
任务名称：任务的名称，在同一个项目中需唯一。
模型和参数¶
您可以使用我们自研的 GeoDevPred+ 或 GeoDevPred-v2 模型（默认的模型）来运行本任务。推荐您使用性能更好的 GeoDevPred-v2 模型。
GeoDevPred+ 模型的参数包括：
- Prediction targets（待预测指标）：需要预测的成药性指标。您可以从以下选项中选择，默认为全选。
- Stability:
- Fab Tm by DSF (°C): Thermostability of the Fab (antigen-binding fragment), observed using differential scanning fluorimetry (DSF). Higher is better.
- Accelerated Stability SEC Slope: Stability of the antibody, measured by size-exclusion chromatography (SEC) slope under accelerated stress conditions. Lower is better.
- Expression:
- HEK Titer (mg/L): Expression yield in human embryonic kidney (HEK) 293 cells. Higher is better.
- Normalized Yeast Surface Expression (%): Expression yield in yeast surface display. Higher is better.
- Solubility:
- HIC Retention Time (min): Antibodies with more hydrophobic characteristics have a longer hydrophobic interaction chromatography (HIC) retention time. Lower is better.
- SGAC-SINS AS100 ((NH4)2SO4 mM): Salt-Gradient Affinity-Capture Self-Interaction Nanoparticle Spectroscopy quantify the interaction between antibodies bound to the surface of gold nanoparticles by measuring the phonon wavelength. Higher is better.
- SMAC Retention Time (min): Antibodies are injected onto a pre-packed Zenix HPLC column and their retention times are calculated. The longer the Solvent-Modified Affinity Chromatography (SMAC) retention time, the lower their colloidal stability. Lower is better.
- AC-SINS ∆λmax (nm): The Affinity-capture Self-interaction Nanoparticle Spectroscopy (AC-SINS) assay tests how likely an antibody is to self-interact. It uses gold nanoparticles that are coated with anti-Fc antibodies. When a dilute solution of antibodies is added, they rapidly become immobilised on the gold beads. If these antibodies subsequently attract one another, it leads to shorter interatomic distances and longer absorption wavelengths that can be detected by spectroscopy. Lower is better.
- CSI-BLI Delta Response (nm): Clone Self-Interaction by Bio-layer Interferometry quantifies the degree to which clones of an antibody self-associate. Lower is better.
- CIC Retention Time (Min): HPLC-based Cation-Interaction Chromatography (CIC) technique helps to understand the 'charge variance' in antibodies. Longer retention time indicates that the antibody species exhibits lesser charge variance and is more uniform, which can be critical for stability and efficiency over time.
- Viscosity:
- Viscosity at 150 mg/mL (cP): Thickness or resistance to flow of an antibody solution at a high concentration (150 mg/mL). Lower viscosity is generally better for manufacturing and for the end-user, because it allows for easier syringeability and less discomfort for the patient upon injection.
- Polyspecificity:
- PSR SMP Score (0-1): The poly-specificity reagent (PSR) binding assay provides Normalized Median Fluorescence Intensity (MFI) values for IgG-presenting yeast that have been incubated with a polyspecificity reagent, indicating antibody specificity. Lower is better.
- BVP ELISA: Baculovirus Particle (BVP) ELISA measures the binding capacity of an antibody to baculovirus particles. Lower is better.
- ELISA: In this protocol, the ELISA score measures an antibody's binding affinity to six different antigens (cardiolipin, KLH, LPS, ssDNA, dsDNA, and insulin) individually coated onto the ELISA plates. Lower is better.
- Immunogenicity: The degree to which an antibody is able to stimulate an immune response. Lower is better.
- Stability:
GeoDevPred-v2 模型的参数包括：
- Prediction targets（待预测指标）：需要预测的成药性指标。您可以从以下选项中选择，默认为全选。
- HEK Titer (mg/L): Expression yield in human embryonic kidney (HEK) 293 cells. Higher is better.
- Fab Tm by DSF (°C): Thermostability of the Fab (antigen-binding fragment), observed using differential scanning fluorimetry (DSF). Higher is better.
- HIC Retention Time (min): Antibodies with more hydrophobic characteristics have a longer hydrophobic interaction chromatography (HIC) retention time. Lower is better.
- Accelerated Stability SEC Slope: Stability of the antibody, measured by size-exclusion chromatography (SEC) slope under accelerated stress conditions. Lower is better.
- AC-SINS ∆λmax (nm): The Affinity-capture Self-interaction Nanoparticle Spectroscopy (AC-SINS) assay tests how likely an antibody is to self-interact. It uses gold nanoparticles that are coated with anti-Fc antibodies. When a dilute solution of antibodies is added, they rapidly become immobilised on the gold beads. If these antibodies subsequently attract one another, it leads to shorter interatomic distances and longer absorption wavelengths that can be detected by spectroscopy. Lower is better.
- Viscosity at 150 mg/mL (cP): Thickness or resistance to flow of an antibody solution at a high concentration (150 mg/mL). Lower viscosity is generally better for manufacturing and for the end-user, because it allows for easier syringeability and less discomfort for the patient upon injection.
- SMAC Retention Time (min): Antibodies are injected onto a pre-packed Zenix HPLC column and their retention times are calculated. The longer the Solvent-Modified Affinity Chromatography (SMAC) retention time, the lower their colloidal stability. Lower is better.
结果¶
结果汇总在一个CSV文件中，可以点击“
”下载。
它包含以下列：
- name：输入抗体的名称
- VH_sequence：输入抗体重链可变区的序列
- VL_sequence：输入抗体轻链可变区的序列
- {property}：目标特性的预测值。选中的每个特性一列。
- {property}_percentile: 目标特性的预测值在训练集中的百分位数，越高越好。选中的每个特性一列。