100 citations · 206 across the 21 of their papers we have counts for
10 papers · 1 filter
Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models
Ziqi Chen, Bo Peng, Srinivasan Parthasarathy +1
Ligand-based drug design aims to identify novel drug candidates of similar shapes with known active molecules. In this paper, we formulated an in silico shape-conditioned molecule…
Precision Anti-Cancer Drug Selection via Neural Ranking
Vishal Dey, Xia Ning
Personalized cancer treatment requires a thorough understanding of complex interactions between drugs and cancer cell lines in varying genetic and molecular contexts. To address th…
Improving Compound Activity Classification via Deep Transfer and Representation Learning
Vishal Dey, Raghu Machiraju, Xia Ning
Recent advances in molecular machine learning, especially deep neural networks such as Graph Neural Networks (GNNs) for predicting structure activity relationships (SAR) have shown…
A Deep Generative Model for Molecule Optimization via One Fragment Modification
Ziqi Chen, Martin Renqiang Min, Srinivasan Parthasarathy +1
Molecule optimization is a critical step in drug development to improve desired properties of drug candidates through chemical modification. We developed a novel deep generative mo…
M2: Mixed Models with Preferences, Popularities and Transitions for Next-Basket Recommendation
Bo Peng, Zhiyun Ren, Srinivasan Parthasarathy +1
Next-basket recommendation considers the problem of recommending a set of items into the next basket that users will purchase as a whole. In this paper, we develop a novel mixed mo…
Drug-drug interaction prediction based on co-medication patterns and graph matching
Wen-Hao Chiang, Li Shen, Lang Li +1
Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel ker…
ALE: Additive Latent Effect Models for Grade Prediction
Zhiyun Ren, Xia Ning, Huzefa Rangwala
The past decade has seen a growth in the development and deployment of educational technologies for assisting college-going students in choosing majors, selecting courses and acqui…
Drug Selection via Joint Push and Learning to Rank
Yicheng He, Junfeng Liu, Xia Ning
Selecting the right drugs for the right patients is a primary goal of precision medicine. In this manuscript, we consider the problem of cancer drug selection in a learning-to-rank…
Grade Prediction with Temporal Course-wise Influence
Zhiyun Ren, Xia Ning, Huzefa Rangwala
There is a critical need to develop new educational technology applications that analyze the data collected by universities to ensure that students graduate in a timely fashion (4…
Trust from the past: Bayesian Personalized Ranking based Link Prediction in Knowledge Graphs
Baichuan Zhang, Sutanay Choudhury, Mohammad Al Hasan +4
Link prediction, or predicting the likelihood of a link in a knowledge graph based on its existing state is a key research task. It differs from a traditional link prediction task…