Modelling Chemical Reasoning to Predict and Invent Reactions.
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The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingPrediction of Organic Reaction Outcomes Using Machine Learning.Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models.Computer-Assisted Retrosynthesis Based on Molecular Similarity.Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks.Yoink: An interaction-based partitioning API.Efficient prediction of reaction paths through molecular graph and reaction network analysis.Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics.The Matter Simulation (R)evolution.Computational Chemical Synthesis Analysis and Pathway Design.Deep reinforcement learning for de novo drug design
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P2860
Modelling Chemical Reasoning to Predict and Invent Reactions.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Modelling Chemical Reasoning to Predict and Invent Reactions.
@en
Modelling Chemical Reasoning to Predict and Invent Reactions.
@nl
type
label
Modelling Chemical Reasoning to Predict and Invent Reactions.
@en
Modelling Chemical Reasoning to Predict and Invent Reactions.
@nl
prefLabel
Modelling Chemical Reasoning to Predict and Invent Reactions.
@en
Modelling Chemical Reasoning to Predict and Invent Reactions.
@nl
P2860
P356
P1476
Modelling Chemical Reasoning to Predict and Invent Reactions.
@en
P2093
Mark P Waller
Marwin H S Segler
P2860
P304
P356
10.1002/CHEM.201604556
P407
P577
2016-11-11T00:00:00Z
P698
P818
1608.07117