Drug Discovery & Molecular Design - software & AI news

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

Showing 284 results
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Sep 14, 2026

Inductive Bio launches Indy, an AI chemistry assistant, to double the capacity of every medicinal chemist

Indy is the world's first medicinal chemistry agent. Indy outperforms Claude Opus 5 and GPT-5.6 Sol in head-to-head benchmarks that include QC'ing new assay data, analyzing SAR, and the design/triage of analogs.NEW YORK, Sept. 14, 2026 /PRNewswire/ -- Inductive Bio today launched Indy, an AI chemistry assistant, available to partners now. Inductive's medicinal chemists, computational chemists, and DMPK scientists built Indy for their work inside partner programs, where it has doubled the team's
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Sep 14, 2026

AI-Driven Reactive Modeling Platform QuantaMind Research Published in Science Advances, Advancing a New Paradigm in AI-Powered Molecular R&D

SHANGHAI, Sept. 14, 2026 /PRNewswire/ -- MoleculeMind, an AI-native bioengineering infrastructure company, announced that research on its proprietary AI-driven reactive atomistic modeling platform, QuantaMind, has been published in Science Advances. The study demonstrates that QuantaMind achieves Density Functional Theory (DFT)-level accuracy while enabling tens-of-nanosecond reactive molecular dynamics (MD) simulations of 10,000-atom complex biomolecular systems. As the pioneering platform to s
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Sep 14, 2026

Evaxion applies its AI-Immunology™ platform in autoimmune diseases

Autoimmune diseases are characterized by high unmet medical need with most current treatments only addressing symptoms. Evaxion will apply AI-Immunology™ to target underlying pathologiesThe unique capabilities of AI-Immunology™ could potentially help develop new treatments with higher efficacy and less side effects than current treatmentsInitial experimental data will be presented at the Protein & Antibody Engineering Summit (PEGS) Europe taking place in Lisbon, Portugal, on November 18, 202
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Sep 10, 2026

AINN-P1: Small Model, Big Intelligence

AINN-P1: Small Model, Big IntelligenceHow does a 167M-parameter protein foundation model outperform a 650M general-purpose model on the tasks that matter?Ainnocence Inc.,an AI-driven drug discovery company, announced new results for AINN-P1, apurpose-built protein foundation model designed to deliver efficient andtransferable predictions for protein engineering and biologics discovery.AINN-P1 takes a sequence-first approach,generating protein representations directly from amino acid sequences wi
A test tube with a colorful chemical compound in a dimly lit lab

Sep 10, 2026

Novalix and OpenBench partner to deliver AI-validated hit series on fee-for-success basis

Novalix and OpenBench have announced a strategic partnership aimed at revolutionizing the drug discovery process by offering AI-validated chemical hit series through a fee-for-success model.In this collaboration, OpenBench will initially screen vast libraries of compounds, identifying and synthesizing the most promising candidates. These hits will then be handed over to Novalix, which will utilize its in vitro screening capabilities to refine these candidates into actionable starting points for
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Sep 10, 2026

CDT Highlights Sarborg’s Application of Signature Intelligence and Quantum Computing Models to Mental Health

NAPLES, Fla. and CAMBRIDGE, United Kingdom, Sept. 10, 2026 (GLOBE NEWSWIRE) -- CDT Equity Inc. (Nasdaq: CDT) (“CDT” or the “Company”) today notes the announcement from Sarborg Limited regarding the successful application of its patented Signature Intelligence and quantum computing models to mental health and neuropsychiatric drug discovery. Mental health represents a significant global healthcare opportunity, with more than 1 billion people globally1 living with a mental disorder and depressio
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Sep 9, 2026

Novalix and OpenBench Partner to Create Fee-For-Success Drug Discovery for Life Science Organizations

Strasbourg, France and San Francisco,CA, September 9, 2026.. Novalix and OpenBench areproud to announce a strategic partnership that re-imagines and accelerates drugdiscovery by delivering experimentally validated chemical hit series through afee-for-success model.OpenBench virtually screens trillions ofcompounds, identifying and synthesizing the most promising hits. Thesecandidates are passed on to Novalix where world-class in vitro screeningand characterization surface actionable, meaningful s
A minimalist representation of a small molecule structure in a dark palette.

Sep 8, 2026

Schrödinger births new immunology and inflammation biotech, Tectora Therapeutics

Schrödinger has unveiled Tectora Therapeutics, a new biotech entity focused on immunology and inflammation, backed by a $55 million Series A funding round.Tectora Therapeutics emerges from Schrödinger's strategic initiative to expand its footprint in drug development, particularly in immune diseases. By contributing two early-stage small molecule programs, Schrödinger not only gains an equity position in Tectora but also stands to benefit from potential future milestones and royalties. This coll
Flat illustration of a DNA strand and AI molecule

Sep 5, 2026

Rakovina Therapeutics Shifts 72% of Budget to AI Cancer Programs

Rakovina Therapeutics has significantly increased its allocation to AI-driven drug discovery, now dedicating 72% of its budget to this area as of Q2 2026, up from 57% the previous year. This strategic pivot comes alongside a notable reduction in overall expenses, with the company reporting a 41% decrease in net loss, indicating a more efficient operational model.The company’s focus on AI-supported cancer therapies is evident as it channels resources into three main programs targeting DNA damage
A test tube with a chemical compound in a dimly lit lab setting.

Sep 4, 2026

Rakovina Therapeutics Shifts 72% of Budget to AI Cancer Programs

Rakovina Therapeutics has significantly increased its investment in AI-driven drug discovery, allocating 72% of its budget to this area in Q2 2026, up from 57% the previous year. This strategic shift is particularly noteworthy as the company simultaneously reduced its net loss by 41%, demonstrating a commitment to advancing its three AI-supported cancer programs while managing costs effectively.The reduction in overall expenses, particularly a 63% decrease in general and administrative costs, ha
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Sep 3, 2026

Nuffield Department of Medicine at the University of Oxford and 2U Launch New Program in AI-Driven Drug Discovery

New partnership brings the Nuffield Department of Medicine into 2U's growing portfolio of partnerships with schools and departments across the University of OxfordARLINGTON, Va. and OXFORD, England, Sept. 3, 2026 /PRNewswire/ -- 2U, a global leader in higher education, today announced a new partnership with the Nuffield Department of Medicine (NDM) at the University of Oxford to launch the Oxford AI in Drug Discovery and Medicine Programme, a six-week online executive education program that equi
A minimalist illustration of a DNA strand and molecule representing AI in drug discovery.

Sep 3, 2026

Boehringer signs AI drug discovery deal with Owkin

Boehringer Ingelheim has partnered with Owkin to enhance its drug discovery efforts through the AI platform K Pro, joining other pharmaceutical giants like Sanofi and AstraZeneca in leveraging this innovative technology.K Pro, introduced at the previous ESMO cancer congress, functions as an AI Scientist, enabling researchers to analyze complex medical data using straightforward language rather than intricate coding. This platform assists in uncovering biological patterns, disease characteristics