Feature Selection and Dualities in Maximum Entropy Discrimination
Incorporating feature selection into a classification or regression method often carries a number of advantages. In this paper we formalize feature selection specifically from a...
Publications
5 shownDiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that tr...
<title>Maximum-likelihood estimation of optimal scaling factors for expression array normalization</title>
Data from expression arrays must be comparable before it can be analyzed rigorously on a large scale. Accurate normalization improves the comparability of expression data becaus...
A Deep Learning Approach to Antibiotic Discovery
Due to the rapid emergence of antibiotic-resistant bacteria, there is a growing need to discover new antibiotics. To address this challenge, we trained a deep neural network cap...
Analyzing Learned Molecular Representations for Property Prediction
Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising ...
Frequent Co-Authors
Researcher Info
- h-index
- 5
- Publications
- 5
- Citations
- 3,898
- Institution
- Massachusetts Institute of Technology
External Links
Identifiers
- ORCID
- 0000-0002-2199-0379
Impact Metrics
h-index
5
h-index: Number of publications with at least h citations each.