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Base complementarity between the three base pairs of mRNA codon and the tRNA anticodon is not a failsafe mechanism. Inaccuracies can range from a single mismatch to no correct base pairing at all. The free energy difference between the correct and nearly correct base pairs can be as small as 3 kcal/ mol. With complementarity being the only proofreading step, the estimated error frequency would be one wrong amino acid in every 100 amino acids incorporated. However, error frequencies observed in...
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Elaborative rehearsal is a crucial cognitive strategy that strengthens information encoding in long-term memory by making meaningful connections between new data and pre-existing knowledge. This approach contrasts with maintenance rehearsal, which involves simple repetition without delving into the significance of the information. While maintenance rehearsal might temporarily keep information active in short-term memory, it is less effective for long-term retention.
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Associative learning is a fundamental concept in behavioral psychology, wherein a connection is established between two stimuli or events, leading to a learned response. This process is critical in understanding how behaviors are acquired and modified. Conditioning, the mechanism through which associations are formed, can be divided into two main types: classical conditioning and operant conditioning, each elucidating different aspects of associative learning.
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E. C. Tolman emphasized the purposiveness of behavior — the idea that much of our behavior is goal-directed. For instance, employees who aim for a promotion work diligently to meet their targets. Tolman argued that when classical conditioning and operant conditioning occur, the organism acquires certain expectations. In classical conditioning, a child might fear a dog because they expect it to bite. In operant conditioning, a person might consistently work overtime because they expect a...
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Children master language quickly and with relative ease, supported by both biological predisposition and reinforcement. B. F. Skinner (1957) proposed that language is learned through reinforcement, while Noam Chomsky (1965) argued that language acquisition mechanisms are biologically determined.
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Air-entraining agents improve the durability and workability of concrete in climates with frequent freezing and thawing. These agents prevent cracks by introducing small air bubbles into the mix, creating spaces accommodating water expansion when temperatures drop. The air-entraining agents lower the surface tension of water, forming stable, small air bubbles. This method is more effective than having accidental large voids, as the intentional, smaller, and evenly distributed air voids improve...
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分子对比训练与协作特色化

Yanqiao Zhu1, Dingshuo Chen2, Yuanqi Du3

  • 1Department of Computer Science, University of California, Los Angeles, Los Angeles, California 90095, United States.

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此摘要是机器生成的。

分子预训练模型从使用多个分子特征中受益. 在分子预训练与协作特征化 (MOCO) 框架中结合不同的数据表示,可以提高各种分子性质预测任务的性能.

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科学领域:

  • 计算化学计算化学
  • 药物发现 药物发现 药物发现
  • 机器学习 机器学习

背景情况:

  • 分子预训练从未标记的数据中学习化学任务的表示.
  • 目前的方法使用各种特征,如SMILES,图形或3D结构.
  • 特色化选择对预训练的影响还没有得到充分的研究.

研究的目的:

  • 为了研究不同的分子特征如何影响预训练.
  • 开发一个预培训框架,利用互补的特色.
  • 为了提高分子性质预测任务的性能.

主要方法:

  • 通过案例研究 (chirality,芳香环) 通过不同的特色化技术传递的分析信息.
  • 提出了分子预训练与协作特色化 (MOCO) 框架.
  • 对各种分子性质预测任务进行了MOCO评估.

主要成果:

  • 不同的特征捕获不同的化学信息.
  • MOCO框架集成了多个互补的特色化.
  • MOCO超越了依赖单个或双重特色的现有模型.

结论:

  • 合作特色化为分子预训练提供了更全面的方法.
  • MOCO框架代表了计算化学和药物发现的重大进步.
  • 利用多样化的分子表示是提高预测准确性的关键.