New Submissions to TMLRMar 21, 2023

Improving Molecular Pretraining with Collaborative Featurizations

https://openreview.net/forum?id=G979lBosKY

#molecular #featurizations #featurization

Improving Molecular Pretraining with Collaborative Featurizations

Molecular pretraining, which learns molecular representations over massive unlabeled data, has become a prominent paradigm to solve a variety of tasks in computational chemistry and drug discovery....

OpenReview
Federico ComitaniNov 23, 2022

An interesting approach to #BindingPocket #Featurization for #Similarity and #Classification 👇

Classification of Protein-Binding Sites Using a Spherical Convolutional Neural Network

https://pubs.acs.org/doi/full/10.1021/acs.jcim.2c00832#

#DrugDiscovery #Pharma #CNN #MachineLearning #DeepLearning #JCIM