The Impact of Computational Drug Discovery on Society

Interpretable bilinear attention network with domain adaptation improves drug–target prediction

(2023) Peizhen Bai et al.   Nature Machine Intelligence

Diverse clonal fates emerge upon drug treatment of homogeneous cancer cells

(2023) Yogesh Goyal et al.   NATURE

DeepMGT-DTI: Transformer network incorporating multilayer graph information for Drug–Target interaction prediction

(2022) Peiliang Zhang et al.   COMPUTERS IN BIOLOGY AND MEDICINE

DrugAI: a multi-view deep learning model for predicting drug–target activating/inhibiting mechanisms

(2022) Siqin Zhang et al.   BRIEFINGS IN BIOINFORMATICS

Partner-Specific Drug Repositioning Approach Based on Graph Convolutional Network

(2022) Xinliang Sun et al.   IEEE Journal of Biomedical and Health Informatics

A unified drug–target interaction prediction framework based on knowledge graph and recommendation system

(2021) Qing Ye et al.   Nature Communications

MONN: A Multi-objective Neural Network for Predicting Compound-Protein Interactions and Affinities

(2020) Shuya Li et al.   Cell Systems

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries

(2020) Silvia Amabilino et al.   Journal of Chemical Information and Modeling

A component overlapping attribute clustering (COAC) algorithm for single-cell RNA sequencing data analysis and potential pathobiological implications

(2019) He Peng et al.   PLoS Computational Biology

Advancing Drug Discovery via Artificial Intelligence

(2019) H.C. Stephen Chan et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Drug–target interaction prediction: databases, web servers and computational models

(2015) Xing Chen et al.   BRIEFINGS IN BIOINFORMATICS

Ledipasvir and Sofosbuvir for Untreated HCV Genotype 1 Infection

(2014) Nezam Afdhal et al.   NEW ENGLAND JOURNAL OF MEDICINE

Drug Repositioning: A Machine-Learning Approach through Data Integration

(2013) Francesco Napolitano et al.   Journal of Cheminformatics

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

(2012) Christopher A. Lipinski et al.   ADVANCED DRUG DELIVERY REVIEWS

What makes a good drug target?

(2011) Isabella Gashaw et al.   DRUG DISCOVERY TODAY

How to improve R&D productivity: the pharmaceutical industry's grand challenge

(2010) Steven M. Paul et al.   NATURE REVIEWS DRUG DISCOVERY

Role of pharmacogenomics in drug discovery and development

(2009) C Adithan et al.   INDIAN JOURNAL OF PHARMACOLOGY

Thalidomide: Mechanisms of Action

(2008) Taraneh Paravar et al.   INTERNATIONAL REVIEWS OF IMMUNOLOGY