Publications | Insilico Medicine
250+ Peer-reviewed Publications
Generative Biology
Comprehensive multi-omic dissection and AI-prioritized target identification in inverted papilloma–associated sinonasal squamous cell carcinoma
npj | Precision Oncology
July 10, 2026Target identification and assessment in the era of AI
Nature Reviews Drug Discovery
April 20, 2026Advancing target discovery through disease-specific integration of multi-modal target identification models and comprehensive benchmarking system
Scientific Reports
April 12, 2026
Opinion / Review
- GLP-1 receptor agonists should be rigorously tested as longevity therapeutics
Nature Health
April 03, 2026
Posters
Abstract 4562: ISM6210, a potent and selective CDK4 inhibitor for the treatment of HR+/HER2- breast cancer
Cancer Research
April 03, 2026Abstract 425: ISM7713, a novel oral pan-KRAS (ON/OFF) inhibitor, shows robust anti-tumor activity in solid tumors with KRAS alterations
Cancer Research
April 03, 2026Abstract 7077: ISM1745, an MTA-cooperative PRMT5 inhibitor for the treatment of MTAP-deleted cancer
Cancer Research
April 03, 2026Abstract 4561: Cbl-b inhibition with ISM3830 restores innate and adaptive immunity and demonstrates antitumor activity against solid tumors in vitro and in vivo
Cancer Research
April 03, 2026
Generative Chemistry
Cover Feature: An Internal Sulfur–Lone Pair Interaction Enabled the Discovery of Potent and Sub-Family Selective PKMYT1 Inhibitors (ChemMedChem 6/2026)
ChemMedChem
March 30, 2026An Internal Sulfur–Lone Pair Interaction Enabled the Discovery of Potent and Sub-Family Selective PKMYT1 Inhibitors
ChemMedChem
March 26, 2026MMAI Gym for Science: Training Liquid Foundation Models for Drug Discovery
March 03, 2026Molecular LEGION: incalculably large coverage of chemical space around the NLRP3 target
Nature: Scientific Data
March 03, 2026
Opinion / Review
The Multi-Faceted Landscape of TEAD Inhibition: a 2017–2025 Patent and Literature Review
Bioorganic Chemistry
February 09, 2026When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs
February 03, 2026From Prompt to Drug: Toward Pharmaceutical Superintelligence
ACS Central Science
February 02, 2026AI-Driven Robotics Laboratory Identifies Pharmacological TNIK Inhibition as a Potent Senomorphic Agent
Aging and Disease
February 01, 2026Conformational restriction of hinge carboxamide leading to potent lactam-based PKMYT1 inhibitors
Bioorganic & Medicinal Chemistry
January 31, 2026
Generative Biology
LongevityBench: Are SotA LLMs ready for aging research?
bioRxiv
January 30, 2026PRECLINICAL TOXICOLOGY EVALUATION OF ISM5411: 13-WEEK ORAL ADMINISTRATION IN RATS AND BEAGLE DOGS
Gastroenterology
January 22, 2026ISM5411, A NOVEL GUT-RESTRICTED PHD1/2 INHIBITOR FOR INFLAMMATORY BOWEL DISEASE: A RANDOMIZED, DOUBLE-BLIND, PLACEBO-CONTROLLED, FIRST-IN-HUMAN PHASE I STUDY TO EVALUATE SAFETY, TOLERABILITY AND PK PR
Gastroenterology
January 22, 2026