| 1 | 2D Qsar Models | 二维定量构效关系模型 |
| 2 | 3D Cartesian | 三维笛卡尔(坐标) |
| 3 | 3D Conformation | 三维构象 |
| 4 | 3D Grids | 三维(坐标)网格 |
| 5 | 3D Qsar Models | 三维定量构效关系模型 |
| 6 | Aberration-Corrected | 像差矫正 |
| 7 | Accuracy | 准确率 |
| 8 | Activation Function | 激活函数 |
| 9 | Active Learning | 主动学习 |
| 10 | Active Machine Learning | 主动机器学习 |
| 11 | Adaptive Fuzzy Neural Network | 自适应模糊神经网络 |
| 12 | Adaptive Neuro Fuzzy Inference System | 自适应神经模糊推理系统 |
| 13 | Adaptive Sampling | 自适应采样 |
| 14 | Admet Evaluation | 毒性评估 |
| 15 | Alexnet | AlexNet |
| 16 | Alphago | 阿尔法狗 |
| 17 | Approximate Probabilistic Models | 近似概率模型 |
| 18 | Area Under ROC Curve | AUC(ROC曲线下方面积,度量分类模型好坏的标准) |
| 19 | Artificial Intelligence | 人工智能 |
| 20 | Artificial Neural Network | 人工神经网络 |
| 21 | Artificial Neurons | 人工神经元 |
| 22 | Artificial Synapses | 人工突触 |
| 23 | Attention | 注意力 |
| 24 | Attention-Based | 基于注意力(机制)的 |
| 25 | Automating Synthetic Planning | 自动化综合规划 |
| 26 | Automation | 自动化 |
| 27 | Autonomous Decision-Making | 自主决策 |
| 28 | B-Clustering Algorithms | B树聚类算法 |
| 29 | Back Propagation | 反向传播 |
| 30 | Bagging | 袋装 |
| 31 | Balanced Accuracy | 平衡精度 |
| 32 | Bandgap Energy | 带隙能量 |
| 33 | Baseline | 基准 |
| 34 | Baseline Test | 基准测试 |
| 35 | Basin Hopping | 盆地跳跃(算法) |
| 36 | Bayesian Approach | 贝叶斯方法 |
| 37 | Bayesian Induction | 贝叶斯归纳 |
| 38 | Bayesian Inference | 贝叶斯推断 |
| 39 | Bayesian Mcmc Methods | 贝叶斯马尔可夫链蒙特卡洛方法 |
| 40 | Bayesian Methods | 贝叶斯方法 |
| 41 | Bayesian Molecular | 贝叶斯分子(设计方法) |
| 42 | Bayesian Network | 贝叶斯网/贝叶斯网络 |
| 43 | Bayesian Prior | 贝叶斯先验 |
| 44 | Bayesian Program Learning | 贝叶斯程序学习 |
| 45 | Bayesian Regularized Neural Network | 贝叶斯正则化神经网络 |
| 46 | Beam-Scanning | 波束扫描 |
| 47 | Bernoulli Distribution | 伯努利分布 |
| 48 | Best Separates | 最优分离 |
| 49 | Bias | 偏差/偏置 |
| 50 | Biased | 有偏 |