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Causal reasoning over knowledge graphs leveraging drug-perturbed and disease-specific transcriptomic signatures for drug discovery

PLoS computational biology, 2022-02, Vol.18 (2), p.e1009909-e1009909

2022

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Exploring SureChEMBL from a drug discovery perspective

Scientific data, 2024-05, Vol.11 (1), p.507-507, Article 507

2024

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Pharmaceutical patent landscaping: A novel approach to understand patents from the drug discovery perspective

Artificial intelligence in the life sciences, 2023-12, Vol.3, p.100069, Article 100069

2023

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Pharmacophore-based ML model to filter candidate E3 ligands and predict E3 Ligase binding probabilities

Informatics in medicine unlocked, 2024, Vol.44, p.101424, Article 101424

2024

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Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regions

Journal of cheminformatics, 2023-11, Vol.15 (1), p.107-107, Article 107

2023

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FAIR data management: what does it mean for drug discovery?

Frontiers in drug discovery, 2023-07, Vol.3

2023

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Linking COVID-19 and Heme-Driven Pathophysiologies: A Combined Computational-Experimental Approach

Biomolecules (Basel, Switzerland), 2021-04, Vol.11 (5), p.644

2021

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Modern drug discovery using ethnobotany: A large-scale cross-cultural analysis of traditional medicine reveals common therapeutic uses

iScience, 2023-09, Vol.26 (9), p.107729-107729, Article 107729

2023

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FAIR in action - a flexible framework to guide FAIRification

Scientific data, 2023-05, Vol.10 (1), p.291-291, Article 291

2023

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PEMT: a patent enrichment tool for drug discovery

Bioinformatics (Oxford, England), 2023-01, Vol.39 (1)

2023

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COVID-19 Knowledge Graph: a computable, multi-modal, cause-and-effect knowledge model of COVID-19 pathophysiology

Bioinformatics, 2021-06, Vol.37 (9), p.1332-1334

2021

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Ensembles of knowledge graph embedding models improve predictions for drug discovery

Briefings in bioinformatics, 2022-11, Vol.23 (6)

2022

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Natural Products Have Increased Rates of Clinical Trial Success throughout the Drug Development Process

Journal of natural products (Washington, D.C.), 2024-07

2024

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Pharmacophore-Based Machine Learning Model To Predict Ligand Selectivity for E3 Ligase Binders

ACS omega, 2023-08, Vol.8 (33), p.30177-30185

2023

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Mpox Knowledge Graph: a comprehensive representation embedding chemical entities and associated biology of Mpox

Bioinformatics advances, 2023, Vol.3 (1), p.vbad045-vbad045

2023

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Selection of data sets for FAIRification in drug discovery and development: Which, why, and how?

Drug discovery today, 2022-08, Vol.27 (8), p.2080-2085

2022

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SASC: A simple approach to synthetic cohorts for generating longitudinal observational patient cohorts from COVID-19 clinical data

Patterns (New York, N.Y.), 2022-04, Vol.3 (4), p.100453-100453, Article 100453

2022

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Causal reasoning over knowledge graphs leveraging drug-perturbed and disease-specific transcriptomic signatures for drug discovery

A method for the rational selection of drug repurposing candidates from multimodal knowledge harmonization

Exploring SureChEMBL from a drug discovery perspective

Pharmaceutical patent landscaping: A novel approach to understand patents from the drug discovery perspective

Pharmacophore-based ML model to filter candidate E3 ligands and predict E3 Ligase binding probabilities

Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regions

FAIR data management: what does it mean for drug discovery?

Linking COVID-19 and Heme-Driven Pathophysiologies: A Combined Computational-Experimental Approach

Modern drug discovery using ethnobotany: A large-scale cross-cultural analysis of traditional medicine reveals common therapeutic uses

FAIR in action - a flexible framework to guide FAIRification

PEMT: a patent enrichment tool for drug discovery

COVID-19 Knowledge Graph: a computable, multi-modal, cause-and-effect knowledge model of COVID-19 pathophysiology

Ensembles of knowledge graph embedding models improve predictions for drug discovery

Natural Products Have Increased Rates of Clinical Trial Success throughout the Drug Development Process

Pharmacophore-Based Machine Learning Model To Predict Ligand Selectivity for E3 Ligase Binders

Mpox Knowledge Graph: a comprehensive representation embedding chemical entities and associated biology of Mpox

Selection of data sets for FAIRification in drug discovery and development: Which, why, and how?

SASC: A simple approach to synthetic cohorts for generating longitudinal observational patient cohorts from COVID-19 clinical data

The FAIR Cookbook - the essential resource for and by FAIR doers

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