Drug Discovery & Molecular Design - software & AI news

Daily news on software, AI, and companies shaping drug discovery & molecular design.

Showing 229 results
A minimalist illustration of a lung and a pill in a dark color scheme.

Jul 9, 2026

Insilico Medicine Advances AI-Discovered IPF Drug Rentosertib into Phase III Trial

Insilico Medicine has announced the progression of its AI-discovered drug, Rentosertib, into Phase III trials, marking a significant advancement in the treatment of idiopathic pulmonary fibrosis (IPF).This oral TNIK inhibitor, identified through Insilico’s Pharma.AI platform, aims to address the high unmet medical needs associated with IPF, a progressive lung disease characterized by scarring that severely affects respiratory function. The Phase IIa study demonstrated promising results, showing
A molecular model and research notebook in a dimly lit lab

Jul 8, 2026

Aureka offers open-source AI module for drug discovery

Aureka has introduced an innovative open-source AI tool aimed at transforming drug discovery processes. Named the Open Drug Discovery Engine (OpenDDE), this foundational model is designed to enhance structural reasoning in drug development, making advanced biomolecular studies more accessible to a wider range of researchers and organizations.Unlike many proprietary AI systems in the drug discovery field, which come with significant costs, Aureka's OpenDDE is open-source, allowing for broader use
Pill bottle of Rentosertib on a wooden table at a clinical trial site

Jul 8, 2026

Insilico Medicine launches Phase III trial of AI-designed Rentosertib drug

Insilico Medicine has launched a Phase III clinical trial for Rentosertib, an innovative oral TNIK inhibitor aimed at treating idiopathic pulmonary fibrosis (IPF), utilizing its advanced Pharma.AI platform for drug discovery.The trial marks a significant milestone for Insilico Medicine, as Rentosertib—previously referred to as ISM001-055 / INS018_055—targets TNIK, a protein linked to fibrosis and inflammation. This drug was developed through a combination of Insilico's PandaOmics biology engine
Open pill bottle with capsules on a lab countertop

Jul 8, 2026

MindRank Secures $52M Series B Financing, AI-Developed Weight-Loss Drug Advances to Phase 3 Clinical Trials | 36Kr Exclusive

MindRank AI has successfully raised $52 million in Series B funding to enhance its AI-driven drug discovery capabilities, particularly focusing on its oral GLP-1 small molecule, MDR-001, which is now advancing to Phase III clinical trials.The financing round attracted prominent investors and will be allocated to further develop MindRank's Molecule Arts Platform (MAP), which integrates advanced AI technologies to streamline the drug discovery process. The platform employs a three-tier architectur
A vial of drug compound on a lab bench with chemical reagents in the background.

Jul 7, 2026

Nvidia Powers AI Agent Strategies for Certara, Silo Pharma - NVIDIA (NASDAQ:NVDA)

Nvidia is enhancing AI capabilities in drug development through collaborations with Certara and Silo Pharma.Certara has announced its integration of Nvidia’s BioNeMo Agent Toolkit into its AI-driven drug development platform. This partnership aims to leverage Certara's scientific software and regulatory expertise alongside Nvidia's advanced AI frameworks. The BioNeMo toolkit will enable AI agents to operate as autonomous researchers, enhancing Certara's biosimulation models and supporting variou
A minimalist representation of a peptide molecule in a dark color scheme.

Jul 7, 2026

LG AI, D&D Pharmatech push AI-powered peptide drug discovery

The partnership between LG AI Research and D&D Pharmatech marks a significant step forward in the use of artificial intelligence for peptide drug discovery, particularly in addressing hard-to-treat diseases.As South Korea's peptide market continues to expand, projected to reach $3.25 billion by 2033, the collaboration aims to leverage AI to innovate in therapeutic development. LG AI Research's advanced AI models will analyze disease target structures and propose novel peptide sequences, streamli
A minimalist representation of protein structure and molecular docking in flat design.

Jul 7, 2026

Certara accelerates drug discovery with Nvidia BioNeMo toolkit as AI reshapes pharma R&D

Nvidia's introduction of the BioNeMo Agent Toolkit is set to revolutionize the landscape of drug discovery, enabling AI to autonomously manage intricate scientific processes.The BioNeMo toolkit, launched at the BIO International Convention, synthesizes over a decade of Nvidia's advancements in life sciences into a suite that transforms biomolecular models into callable skills. This allows AI agents to undertake complex tasks such as protein structure predictions and molecular docking without dir
A vial of a drug compound on a lab bench in a dimly lit laboratory.

Jul 7, 2026

$7 Billion Into AI Drug Discovery and Zero Approved Drugs: The Industry Is Funding the Wrong Race

The biopharmaceutical industry is facing a paradox as it invests over $7 billion into AI-driven drug discovery while achieving zero approved drugs from these efforts. This discrepancy highlights the challenges of translating AI advancements into viable clinical outcomes.Since January 2026, major pharmaceutical companies have poured substantial resources into AI drug discovery, partnering with firms like Insilico Medicine. Despite these investments, the reality remains stark: no AI-discovered dru
Minimalist illustration of a drug compound and neural network

Jul 7, 2026

Insilico SK Bio Secures $2.5B AI Drug Discovery Milestone Deal

Insilico SK Bio has secured a transformative partnership with SK Biopharmaceuticals, aimed at addressing neuroimmune central nervous system disorders, with a total potential value exceeding $2.5 billion. This significant milestone highlights the growing impact of AI in drug discovery, particularly in the context of a rapidly evolving competitive landscape.The partnership includes an upfront payment of $18 million, with additional milestone payments contingent on the successful development and co
A minimalist illustration of a pill against a dark background.

Jul 7, 2026

Drug discovery AI moves beyond hype to an R&D productivity test

AI is transitioning from hype to a pragmatic tool in drug discovery, helping to streamline specific processes rather than replacing entire development pipelines.The pharmaceutical and biotechnology sectors are increasingly recognizing AI's value in addressing particular challenges in drug development, such as target identification, protein structure prediction, and clinical trial design. This shift in perspective has led to major companies pursuing collaborations with AI firms, as well as invest
A glass vial with a colorful drug compound on a lab bench

Jul 4, 2026

Anthropic enters drug development arena

Anthropic, known for its Claude AI system, is making a significant move into the pharmaceutical sector, aiming to develop software for drug discovery.The company, led by Eric Kauderer-Abrams in its life sciences division, intends to market its AI solutions to pharmaceutical manufacturers, positioning itself against established competitors such as Isomorphic Labs and major players like AstraZeneca and GSK. This shift reflects a growing trend of leveraging artificial intelligence in drug developme
A minimalist illustration of a pill and a molecule on a solid background.

Jul 4, 2026

Anthropic launches its own drug discovery programs to tackle diseases Big Pharma considers unprofitable

Anthropic is embarking on innovative drug discovery initiatives aimed at neglected diseases, a sector often overlooked by major pharmaceutical companies due to perceived unprofitability.The organization is focusing on early-stage drug development, aligning its efforts with its nonprofit mission. This strategy is expected to enhance Anthropic's AI models and tools, providing valuable insights from direct experience in drug discovery. The announcement coincided with the launch of "Claude Science,"