| AI | Artificial intelligence | 人工智能 |
| AIA | Analytical instrument association | 美国分析仪器协会 |
| amu | Atomic mass unit | 原子质量单位 |
| ANCOVA | Analysis of covariance | 协方差分析 |
| ANDI | Analytical data interchange | 分析数据交换格式标准 |
| ANN | Artificial neural network | 人工神经网络 |
| ANOVA | Analysis of variance | 方差分析 |
| AOAC | Association of Official Analytical Chemists | 美国官方分析化学家协会 |
| APCI | Atmospheric-pressure chemical ionization | 大气压化学电离 |
| ASCII | American standard code for information exchange | 美国信息交换标准代码 |
| ASTM | American Society of Testing Materials standard | 美国材料实验协会标准 |
| AU | Absorbance unit | 吸收单位 |
| BMP | Bitmap | 位图图像 |
| BMU | Best matching unit | 最优拟合单元 |
| BP Network | Back-propagation network | 反向传播人工神经网络 |
| BPI | Base peak intensity chromatogram | 基峰离子流色谱图 |
| CCA | Canonical correlation analysis | 典型相关分析 |
| CCD | Charge coupled device | 电感耦合元件 |
| CHP | Pharmacopeia of The People's Republic of China | 中国药典 |
| CMOS | Complementary metal oxide semiconductor | 互补金属氧化物半导体 |
| CNAS | China National Accreditation Service for Conformity Assessment |
中国合格评定国家认可委员会 |
| CPD | Chempattern solution document format | ChemPattern解决方案文档格式 |
| CSV | Comma separated value | 逗号分隔值 |
| CV | Cross validation | 交叉验证 |
| Da | Dalton | 道尔顿 |
| DAD | (Photo-) diode array detector | （光电）二极管阵列检测器 |
| DART-MS | Direct analysis real time mass spectrometry | 直接实时分析质谱 |
| DPI | Dots per inch | 每英寸点数 |
| EI | Electron ionization | 电子轰击离子化 |
| EIC | Extracted ion chromatogram | 提取离子流色谱图 |
| EMF | Enhanced windows metafile | 扩展Windows图元文件 |
| ESI | Electrospray ionization | 电喷雾离子化 |
| FDA 21 CFR part 11 | FDA electronic record and electronic signature act | FDA电子记录和电子签名法案 |
| FTIR | Fourier transform infrared spectroscopy | 傅里叶变换红外光谱法 |
| GB/T | Chinese national standards (recommended) | 中国国家标准（推荐） |
| GC | Gas chromatography | 气相色谱法 |
| GLP | Good laboratory practice | 药物非临床研究质量管理规范 |
| HCA | Hierarchical cluster analysis | 系统聚类分析 |
| HPCE | High-performance capillary electrophoresis | 高效毛细管电泳 |
| HPLC | High-performance liquid chromatography | 高效色谱法 |
| HPTLC | High-performance thin-layer chromatography | 高效薄层色谱法 |
| HRMS | High-resolution mass spectrometry | 高分辨质谱法 |
| ICP-MS | Inductively coupled plasma mass spectrometry | 电感耦合等离子体质谱 |
| IQR | Inter quartile range | 四分位距 |
| IR | Infrared spectroscopy | 红外光谱法 |
| JCAMP-DX | Joint committee on atomic and molecular physical data exchange protocol |
原子与分子物理联合会数据交换协议 |
| JPEG | Joint photographic experts group | 联合图像专家组 |
| k -NN | k -nearest neighbour | k 最近邻法 |
| LC | Liquid chromatography | 液相色谱法 |
| LDA | Linear discriminant analysis | 线性判别分析 |
| LIMS | Laboratory information management system | 实验室信息管理系统 |
| LOO | Leave-one-out cross validation | 留一法交叉验证 |
| m/z | Mass-to-charge ratio | 质荷比 |
| MANOVA | Multivariate analysis of variance | 多元方差分析 |
| mAU | Milliabsorbance unit | 毫吸收单位 |
| MFA | Molecular feature alignment | 分子特征匹配 |
| MLR | Multiple linear regression | 多元线性回归 |
| MS/MS | Tandem mass spectrometry | 串联质谱法 |
| MSC | Multiple scatter correction | 多元散射校正 |
| MSE | Mean squared error | 均方误差 |
| mV | Millivolt | 毫伏 |
| MVA | Multivariate analysis | 多元统计分析 |
| NIST | National Institute of Standards and Technology | 美国国家标准技术研究院 |
| NMR | Nuclear magnetic resonance spectroscopy | 核磁共振波谱法 |
| P | Probability | 概率 |
| PAGE | Polyacrylamide gel electrophoresis | 凝胶电泳法 |
| PCA | Principal component analysis | 主成分分析 |
| PLS-DA | Partial least squares discriminant analysis | 偏最小二乘判别分析 |
| PLSR | Partial least squares regression | 偏最小二乘回归 |
| PNG | Portable network graphics | 便携网络图像格式 |
| PRESS | Prediction error sum of squares | 预测残差平方和 |
| QSAR | Quantitative structure-activity relationship | 定量构效关系 |
| QTOF | Quadrupole/time-of-flight | 四级杆/飞行时间 |
| R | Pearson correlation coefficient | 皮尔逊相关系数 |
| Rf | Retention factor | 比移值 |
| RGB | RGB color space | RGB颜色空间 |
| RSD | Relative standard deviation | 相对标准偏差 |
| SG Filter | Savitzky-Golay smoothing filter | SG平滑滤波 |
| SIM | Selected-ion monitoring | 选择离子监控 |
| SIMCA | Soft independent modeling of class analogies | 簇类独立软模式法 |
| SNV | Standard normal variate transformation | 标准正态变量变换 |
| SOM | Self-organizing map network | 自组织映射人工神经网络 |
| SVD | Singular value decomposition | 奇异值分解 |
| SVM | Support vector machine | 支持向量机 |
| T2 | Hotelling’s T2 test | Hotelling’s T2检验 |
| TIC | Total ion current | 总离子流色谱图 |
| TIFF | Tagged image file format | 标签图像文件格式 |
| TLC | Thin-layer chromatography | 薄层色谱法 |
| t R | Retention time | 保留时间 |
| UPLC | Ultra-performance liquid chromatography | 超高压液相色谱法 |
| USP | United states pharmacopoeia | 美国药典 |
| UV/Vis | Ultraviolet-visible detector | 紫外可见检测器 |
| XML | Extensible markup language | 可扩展标记语言 |
| YUV | YUV color space | YUV颜色空间 |