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Comparison of MTMol-GPT and other methods by using MOSES metrics.

NIAID Data Ecosystem2026-05-02 收录

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https://figshare.com/articles/dataset/Comparison_of_MTMol-GPT_and_other_methods_by_using_MOSES_metrics_/26110061 数据链接链接失效反馈

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Comparison of MTMol-GPT and other methods by using MOSES metrics.

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创建时间：

2024-06-26

药物分子生成

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Additional file 5. Molecules generated by Experiment 5 having QED > 0.8 and SA score > 0.8.

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De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application area

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ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery

药物分子生成

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In recent years, reinforcement learning (RL) has emerged as a valuable tool in drug design, offering the potential to propose and optimize molecules with desired properties. However, striking a balanc

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Conditional Molecular Design with Deep Generative Models

药物分子生成

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Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, w

Figshare2018-12-12 更新20

Comparison of MTMol-GPT and other methods by using MOSES metrics.

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