A Data-Driven Approach to Predicting Successes and Failures of Clinical Trials.

No abstract is available for this paper.

• Publication year

  2016

• Venue

  Cell Chemical Biology

• Publication date

  2016-10-20

• Fields of study

  Biology, Medicine, Chemistry, Computer Science

• Identifiers
  DOI 10.1016/j.chembiol.2016.07.023PMID 27642066PMCID PMC5074862
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Current and Future Perspectives on the Development, Evaluation, and Application of in Silico Approaches for Predicting Toxicity.

  2016cited by this paper
• Pharmacology-based toxicity assessment: towards quantitative risk prediction in humans.

  2016cited by this paper
• Faculty Opinions recommendation of Human genomics. The Genotype-Tissue Expression (GTEx) pilot analysis: multitissue gene regulation in humans.

  2015cited by this paper
• The Genotype-Tissue Expression (GTEx) pilot analysis: Multitissue gene regulation in humans

  2015cited by this paper
• Prediction of human population responses to toxic compounds by a collaborative competition

  2015cited by this paper
• HTSeq—a Python framework to work with high-throughput sequencing data

  2014cited by this paper
• Clinical development success rates for investigational drugs

  2014cited by this paper
• DrugBank 4.0: shedding new light on drug metabolism

  2013influential reference
• Interpretation of Genomic Variants Using a Unified Biological Network Approach

  2013influential reference
• PiHelper: an open source framework for drug-target and antibody-target data

  2013influential reference
• HINT: High-quality protein interactomes and their applications in understanding human disease

  2012influential reference
• Diagnosing the decline in pharmaceutical R&D efficiency

  2012cited by this paper
• Quantifying the chemical beauty of drugs.

  2012influential reference
• AMBIT RESTful web services: an implementation of the OpenTox application programming interface

  2011cited by this paper
• Nonproteasomal Targets of the Proteasome Inhibitors Bortezomib and Carfilzomib: a Link to Clinical Adverse Events

  2011cited by this paper
• Translational research: 4 ways to fix the clinical trial

  2011influential reference
• Rosiglitazone: a European regulatory perspective

  2011cited by this paper
• A side effect resource to capture phenotypic effects of drugs

  2010cited by this paper
• DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs

  2010cited by this paper
• Effect of rosiglitazone on the risk of myocardial infarction and death from cardiovascular causes.

  2007cited by this paper
• Clinical pharmacodynamic factors in docetaxel toxicity

  2007cited by this paper
• The influence of drug-like concepts on decision-making in medicinal chemistry

  2007cited by this paper
• The igraph software package for complex network research

  2006cited by this paper
• Moneyball: The Art of Winning an Unfair Game

  2005cited by this paper
• Lead- and drug-like compounds: the rule-of-five revolution.

  2004cited by this paper
• Factors Predicting Docetaxel-Related Toxicity: Experience at a Single Institution

  2004cited by this paper
• Moneyball: The Art of Winning an Unfair Game

  2003cited by this paper
• Molecular properties that influence the oral bioavailability of drug candidates.

  2002influential reference
• Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.

  2001influential reference
• Random Forests

  2001cited by this paper
• A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases.

  1999influential reference
• Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

  1997influential reference
• Databases

  1993cited by this paper

• Nanoinformatics-Based, Predictive Toxicological Screening of Nanomaterials.

  2026cites this paper
• From Prompt to Drug: Toward Pharmaceutical Superintelligence

  2026cites this paper
• ClinicalReTrial: A Self-Evolving AI Agent for Clinical Trial Protocol Optimization

  2026cites this paper
• A large-scale database for clinical trial outcomes and features

  2026cites this paper
• Learning from the successes and failures of early artificial intelligence (AI) adoption for drug discovery in Big BioPharma.

  2026cites this paper
• Hierarchical Mechanistic Modeling of Complex Toxicity Endpoints from Public Concentration–Response Data

  2026cites this paper
• Success rates of American clinical oncology trials by geographic factors.

  2026cites this paper
• MMPCS: multi-view molecular pretraining based on consistency information and specific information

  2026influential citation
• Artificial intelligence for clinical trial design, conduct, and analysis: a narrative review

  2026cites this paper
• Molecular property prediction based on graph contrastive learning with partial feature masking.

  2025cites this paper
• Enhancing Molecular Contrastive Prediction by Recognizing Metric Distribution Separation

  2025cites this paper
• Leveraging neural network interatomic potentials for a foundation model of chemistry

  2025cites this paper
• Current Status and Future Perspectives of Nuclear Medicine in Prostate Cancer from Imaging to Therapy: A Comprehensive Review

  2025cites this paper
• Artificial Intelligence for Clinical Trial Facilitation, Lessons for Inflammatory Bowel Disease: A Scoping Review.

  2025cites this paper
• Drug toxicity prediction based on genotype-phenotype differences between preclinical models and humans

  2025influential citation
• Structural Entropy Guided Unsupervised Graph Out-Of-Distribution Detection

  2025cites this paper
• Improving Multi-task GNNs for Molecular Property Prediction via Missing Label Imputation

  2025cites this paper
• Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?

  2025cites this paper
• M2LLM: Multi-view Molecular Representation Learning with Large Language Models

  2025cites this paper
• gSelformer-MV: Multiview, Subgraph-Augmented Group SELFIES Transformer for Molecular Property Prediction

  2025cites this paper
• LLM4TOP: An End-to-End framework based on Large Language Model for trial outcome prediction

  2025cites this paper
• FusionCLM: enhanced molecular property prediction via knowledge fusion of chemical language models

  2025cites this paper
• Recent advances in AI-based toxicity prediction for drug discovery

  2025cites this paper
• Update and ADMET Profile of the Latin American Natural Product Database: LANaPDB

  2025cites this paper
• Functional Groups are All you Need for Chemically Interpretable Molecular Property Prediction

  2025cites this paper
• AUTOCT: Automating Interpretable Clinical Trial Prediction with LLM Agents

  2025cites this paper
• Ontology pre-training improves machine learning-based predictions for metabolites

  2025cites this paper
• TRANSFORMATIVE APPLICATIONS OF AI IN HEALTHCARE AND PHARMACEUTICAL INNOVATION

  2025cites this paper
• Molecular property prediction using pretrained-BERT and Bayesian active learning: a data-efficient approach to drug design

  2025cites this paper
• A two-stage framework by leveraging large language model for predicting clinical trial outcomes

  2025cites this paper
• Multi-MoleScale: a multi-scale approach for molecular property prediction with graph contrastive and sequence learning

  2025cites this paper
• Prediction of drug approvals in oncology using explainable artificial intelligence

  2025cites this paper
• LIFTED: Multimodal Clinical Trial Outcome Prediction via Large Language Models and Mixture-of-Experts

  2025cites this paper
• Nano-enhanced photodynamic therapy and machine learning: Advancements, challenges, and future directions.

  2025cites this paper
• Knowledge enhanced and guided graph contrastive learning for molecular property prediction

  2025cites this paper
• BioMedGPT-Mol: Multi-task Learning for Molecular Understanding and Generation

  2025cites this paper
• Knowledge graph information bottleneck enhanced molecular representation learning

  2025cites this paper
• A self-conformation-aware pre-training framework for molecular property prediction with substructure interpretability

  2025cites this paper
• Graph Neural Networks in Modern AI-aided Drug Discovery

  2025cites this paper
• Feature-enhanced graph neural network with multiple attention for molecular property prediction

  2025cites this paper
• MMCTOP: A Multimodal Textualization and Mixture-of-Experts Framework for Clinical Trial Outcome Prediction

  2025cites this paper
• HSG-12M: A Large-Scale Benchmark of Spatial Multigraphs from the Energy Spectra of Non-Hermitian Crystals

  2025cites this paper
• Quantum-Embedded Graph Neural Network Architecture for Molecular Property Prediction

  2025cites this paper
• Molecular pretraining models towards molecular property prediction

  2025cites this paper
• Comparative analysis of the chemical composition and cytotoxic activity of broccoli by-products as an alternative source of bioactive compounds

  2025cites this paper
• TECH-DRIVEN TRUST: THE ROLE OF AI AND EMERGING TECHNOLOGIES IN PHARMACEUTICAL QUALITY ASSURANCE

  2025cites this paper
• MoleculeFormer is a GCN-transformer architecture for molecular property prediction

  2025influential citation
• LLM-enhanced multi-level knowledge distillation for molecular property prediction

  2025cites this paper
• Comprehensive Drug-Likeness Prediction Using a Pretrained Transformer Model and Multitask Learning

  2025cites this paper
• Trialblazer: A chemistry-focused predictor of toxicity risks in late-stage drug development.

  2025cites this paper
• Molecular Motif Learning as a pretraining objective for molecular property prediction

  2025cites this paper
• Task-Specific Sparse Feature Masks for Molecular Toxicity Prediction with Chemical Language Models

  2025cites this paper
• Molecular property prediction in the ultra‐low data regime

  2025cites this paper
• A generative AI-discovered TNIK inhibitor for idiopathic pulmonary fibrosis: a randomized phase 2a trial

  2025cites this paper
• A scoping review of artificial intelligence applications in clinical trial risk assessment

  2025cites this paper
• MolGA: Molecular Graph Adaptation with Pre-trained 2D Graph Encoder

  2025cites this paper
• Wellbeing for staff in UKCRC-registered Clinical Trials Units: Development of the Flourishing As Clinical Trial Staff (FACTS) guidance: a mixed-methods study

  2025cites this paper
• PyaiVS unifies AI workflows to accelerate ligand discovery and yields ABCG2 inhibitors.

  2025cites this paper
• Scaling Molecular Representation Learning with Hierarchical Mixture-of-Experts

  2025cites this paper
• Discovery of novel HBV core protein inhibitors by high throughput virtual screening

  2025cites this paper
• Implementation of Firefly Algorithm-Support Vector Machine in Classifying Clinical Trial Toxicity

  2025cites this paper
• MulAFNet: Integrating Multiple Molecular Representations for Enhanced Property Prediction

  2025cites this paper
• A Survey of Graph Transformers: Architectures, Theories and Applications

  2025cites this paper
• Enhancing clinical trial outcome prediction with artificial intelligence: a systematic review.

  2025cites this paper
• Membership Inference Risks in Quantized Models: A Theoretical and Empirical Study

  2025cites this paper
• Artificial Intelligence, Computational Tools and Robotics for Drug Discovery, Development, and Delivery

  2025cites this paper
• Integrating convolutional layers and biformer network with forward-forward and backpropagation training

  2025cites this paper
• AGPred: An End-to-End Deep Learning Model for Predicting Drug Approvals in Clinical Trials Based on Molecular Features

  2025cites this paper
• Role of AI in empowering and redefining the oncology care landscape: perspective from a developing nation

  2025cites this paper
• Fast and effective molecular property prediction with transferability map

  2024cites this paper
• On the Scalability of GNNs for Molecular Graphs

  2024cites this paper
• Language Interaction Network for Clinical Trial Approval Estimation

  2024cites this paper
• Integration of Federated Learning and Blockchain in Healthcare: A Tutorial

  2024cites this paper
• Evaluating the Effectiveness of Transformer Models for Molecular Property Prediction: A Review

  2024cites this paper
• Transformers for molecular property prediction: Lessons learned from the past five years

  2024cites this paper
• A Deep Multimodal Representation Learning Framework for Accurate Molecular Properties Prediction

  2024cites this paper
• Gigantol, a promising natural drug for inflammation: a literature review and computational based study

  2024cites this paper
• In silico off-target profiling for enhanced drug safety assessment

  2024cites this paper
• Absorption Distribution Metabolism Excretion and Toxicity Property Prediction Utilizing a Pre-Trained Natural Language Processing Model and Its Applications in Early-Stage Drug Development

  2024cites this paper
• Quest for discovering novel CDK12 inhibitor

  2024cites this paper
• Role of Artificial Intelligence in Drug Discovery to Revolutionize the Pharmaceutical Industry: Resources, Methods and Applications.

  2024cites this paper
• Efficient retrosynthetic planning with MCTS exploration enhanced A* search

  2024cites this paper
• Automatic Prediction of Molecular Properties Using Substructure Vector Embeddings within a Feature Selection Workflow

  2024cites this paper
• LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset

  2024cites this paper
• Pretraining graph transformer for molecular representation with fusion of multimodal information

  2024cites this paper
• Role of Artificial Intelligence and Machine Learning in Sustainable Drug Discovery

  2024cites this paper
• Flourishing and job satisfaction in employees working in UK clinical trial units: a national cross-sectional survey

  2024cites this paper
• Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks

  2024cites this paper
• Multimodal Clinical Trial Outcome Prediction with Large Language Models

  2024cites this paper
• Smart science: How artificial intelligence is revolutionizing pharmaceutical medicine

  2024cites this paper
• Semi-supervised learning-based virtual adversarial training on graph for molecular property prediction

  2024cites this paper
• Predicting clinical trial success for Clostridium difficile infections based on preclinical data

  2024cites this paper
• Exploring the Artificial Intelligence and Its Impact in Pharmaceutical Sciences: Insights Toward the Horizons Where Technology Meets Tradition

  2024cites this paper
• FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability

  2024cites this paper
• Advancing Molecular Graph-Text Pre-training via Fine-grained Alignment

  2024cites this paper
• KnoMol: A Knowledge-Enhanced Graph Transformer for Molecular Property Prediction

  2024cites this paper
• Automatically Labeling Clinical Trial Outcomes: A Large-Scale Benchmark for Drug Development

  2024cites this paper
• Uncovering Capabilities of Model Pruning in Graph Contrastive Learning

  2024cites this paper
• DGCL: dual-graph neural networks contrastive learning for molecular property prediction

  2024cites this paper
• Molecular Data Programming: Towards Molecule Pseudo-labeling with Systematic Weak Supervision

  2024cites this paper