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4890 积分 2021-08-26 加入
Build-Up Algorithm for Atomic Correspondence between Chemical Structures
5小时前
已完结
Lone Pair−π Interactions in Organic Reactions
5小时前
已完结
Combining a Chemical Language Model and the Structure–Activity Relationship Matrix Formalism for Generative Design of Potent Compounds with Core Structure and Substituent Modifications
5小时前
已完结
UNIQUE: A Framework for Uncertainty Quantification Benchmarking
5小时前
已完结
AI-Assisted Generation and In-depth In-silico Evaluation of Potential Inhibitor Targeting Aurora Kinase A (AURKA): An Anticancer Discovery Exploiting Synthetic Lethality Approach
4天前
已完结
Improving Symbolic Regression for Predicting Materials Properties with Iterative Variable Selection
6天前
已完结
Human- and machine-centred designs of molecules and materials for sustainability and decarbonization
6天前
已完结
Data-Based Prediction of Redox Potentials via Introducing Chemical Features into the Transformer Architecture
10天前
已完结
Deep reinforcement learning in chemistry: A review
11天前
已完结
Atom Typing Using Graph Representation Learning: How Do Models Learn Chemistry?
11天前
已完结
Oxford Handbook of Rheumatology (4 ed.)
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