Uncertainty-Aware Yield Prediction with Multimodal Molecular Features.

Jiayuan Chen Kehan Guo Zhen Liu Olexandr Isayev Xiangliang Zhang

Published in: AAAI (2024)

Keyphrases

feature vectors
feature set
prediction model
drug design
genetic algorithm
feature space
extracted features
three dimensional
prediction accuracy
data sets
multi modal
low level
false positives
co occurrence
image features
prior knowledge
feature extraction
multimedia
machine learning
neural network