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News

Insilico Medicine
insilico.com > news > 5kip5kk0s1-from-molecular-lego-to-high-quality-data

From Molecular Lego to High-Quality Data

3+ hour, 37+ min ago   (30+ words) Insilico Medicine Introducing sorbaMOF DB: High-Quality Data for Direct Air Capture (DAC) A Transferable Foundation for Next-Generation MaterialsBuilding on a Strategic AI–Energy Collaboration...

Insilico Medicine
insilico.com > blog > automated-data-for-qsar

Automated data preparation for QSAR modeling

2+ week, 6+ day ago   (96+ words) Insilico Medicine Asking the MolTools MCP engine to list its available filters and transformers—every step is inspectable, not buried in code. Standardizing the full PXR dataset in a single prompt: 1,003 in, 971 out, and 32 removed—each with a documented reason....

Insilico Medicine
insilico.com > news > tmikccj2f1-advancing-drug-discovery-from-automation

Advancing Drug Discovery from Automation to Autonomy: Insilico Medicine Announces LabClaw the Intelligent System

3+ mon, 3+ day ago   (125+ words) Insilico Medicine Advancing Drug Discovery from Automation to Autonomy: Insilico Medicine Announces LabClaw the Intelligent System Breaking Process Rigidity: From Fragmented Automation to Intelligent Autonomy - Workflow Rigidity: Pre-programmed workflows often struggle with dynamic variables. If an intermediate step fails or…...

Insilico Medicine
insilico.com > news > 2bxz1tluo1-insilico-medicine-to-present-groundbreak

Insilico Medicine to Present Groundbreaking AI Retrosynthesis Research at ICML 2026: Introducing ChemCensor to Bring Real-World Chemistry Into AI Benchmarking

3+ mon, 6+ day ago   (147+ words) Insilico Medicine Insilico Medicine to Present Groundbreaking AI Retrosynthesis Research at ICML 2026: Introducing ChemCensor to Bring Real-World Chemistry Into AI Benchmarking - Beyond Top-K Accuracy: The paper argues that single-answer evaluation on constrained benchmarks like USPTO-50K is fundamentally insufficient for retrosynthesis…...

Insilico Medicine
insilico.com > news > 3fymrymsu1-nature-reviews-drug-discovery-target-ide

Nature Reviews Drug Discovery | Target Identification and Assessment in the Era of AI

3+ mon, 2+ week ago   (107+ words) Insilico Medicine Nature Reviews Drug Discovery | Target Identification and Assessment in the Era of AI - Therapeutic hypothesis: Defining the mechanism by which target modulation affects disease biology. - Druggability and Safety: Assessing if the target can be effectively modulated by a…...