The leading 25 AI tools for drug discovery & development (December 2025) | RankmyAI

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Ranking December 2025

Drug discovery & development

The RankmyAI Drug Discovery & Development Ranking presents the top 25 AI tools from our Overall ranking focusing on drug discovery & development.

These AI tools are used to enhance and expedite the drug discovery and development process by analyzing vast datasets to identify potential drug candidates, predict their interactions, and optimize their design. They work by leveraging algorithms that can process biological data, simulate chemical interactions, and model biological systems, which aids researchers in generating insights that traditionally required more time and manual effort. Primary applications include target identification, lead compound screening, and preclinical research, offering professionals powerful resources in the complex landscape of pharmaceutical development.

The green up and red down arrows indicate how many positions a tool has increased or decreased compared to the previous month's ranking. A grey dash means the tool's position has remained unchanged.

Top 25 out of

60

PathAI AISight is a cloud-native digital pathology image management system supporting AI applications for case and image management, designed for leading laboratories and research centers.

Juvenescence Juvenescence develops innovative medicines targeting aging mechanisms to treat and prevent age-related diseases, enhancing healthy lifespan through AI-enabled R&D and adaptive clinical trials.

Atomwise Atomwise utilizes a machine learning-based discovery engine with convolutional neural networks to innovate in drug discovery, aiming to create better medicines through transforming and accelerating the development process.

Healx Healx leverages AI to transform drug discovery for rare diseases, enhancing known compounds and identifying novel drug-disease relationships to build effective therapies.

AQEMIA Aqemia leverages quantum-inspired physics and AI to rapidly accelerate the drug discovery process, generating its own data to identify drug candidates with unprecedented speed and accuracy.

Lantern Pharma Lantern Pharma leverages AI, machine learning, and genomics to revolutionize oncology drug development, significantly enhancing speed, power, precision, and cost efficiency.

NOETIK Noetik leverages advanced machine learning to discover and develop cancer immunotherapies, focusing on precision and patient-centered approaches.

Aignostics Aignostics specializes in applying AI to precision medicine, transforming complex biomedical data to deliver insights that enhance drug development and patient outcomes. It integrates multimodal AI technologies with robust foundation models tailored for histopathology.

Iktos Makya is a generative AI platform by Iktos, designed for chemists to accelerate drug discovery using AI-driven molecular design, synthesis planning, and automation through a fully integrated pipeline.

Gero Gero leverages physics-informed AI models to develop therapeutics targeting the root causes of aging, aiming to double human healthspan. Their platform integrates extensive real-world data to identify novel therapeutic targets and design effective interventions.

Anagenex Anagenex accelerates drug discovery using proprietary generative AI and neural networks, processing billions of compound experiments to refine predictions and deliver medicines faster with datasets over 100B datapoints.

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PhAST PhAST Diagnostics uses AI and machine learning to enhance infectious disease diagnostics, focusing on antibiotic resistance with a cloud-based platform for clinical decision support and workflow improvement.

Mindstate Design Labs Mindstate Design Labs is a clinical-stage AI neuroengineering and drug development company. Its Osmanthus discovery platform fuses human reports of psychoactive effects with biochemical data using multi-agent LLMs, custom embeddings, Bayesian neural networks, and other ML methods to map how neurotransmitter receptor combinations produce distinct emotional and cognitive states. The company’s pipeline includes MSD programs aimed at precision-designing therapeutic states such as empathy or awe, with human studies underway.

InpharmD InpharmD™ provides healthcare professionals with quick access to customized, actionable drug information, enhancing efficiency in making informed clinical decisions by transforming complex literature searches into streamlined insights.

CELLINK CELLINK offers comprehensive 3D bioprinting solutions, including bioprinters and bioinks, to advance research in regenerative and personalized medicine and drug discovery.

Soley Therapeutics Soley Therapeutics utilizes AI/ML to decode cellular language, enhancing drug discovery and development efficiency through a high-throughput platform technology.

RECEPTOR.AI Receptor.AI accelerates drug discovery with AI-driven platforms for small molecules and peptides, integrating predictive modeling and data-driven strategies for efficient optimization.

Novigenix LITOSeek by Novigenix is an AI-powered immune liquid biopsy platform that uses immuno-transcriptomics to transform precision oncology. By measuring the gene activity of millions of immune cells in blood and integrating this data with tumor DNA, other omics, and clinical metadata, LITOSeek delivers highly precise, predictive insights across the cancer patient journey. The platform enables early cancer detection, robust immune biomarker discovery, therapy response prediction, toxicity biomarker identification, and deep understanding of mechanisms of response and resistance. ISO13485 certification underpins its use in clinical development and precision medicine, helping pharmaceutical and biotech partners accelerate development of effective therapies and improve patient outcomes.

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Pattern Computer Pattern Discovery Engine by Pattern Computer offers a transformative approach to data analytics by utilizing explainable AI for predictive insights and advanced hypothesis generation, catering to industries needing deep data-driven insights and innovative solutions.

GenBio AI GenBio AI develops AI-driven digital organisms using multiscale foundation models to predict, simulate, and program biology, advancing healthcare and scientific discovery.

Graphen Graphen provides advanced AI solutions harnessing graph technology, offering AI-driven tools for finance, healthcare, and more, facilitating improved decision-making and operational efficiency through comprehensive data analysis.

GT Apeiron Therapeutics Apeiron Therapeutics is a clinical-stage biopharmaceutical company developing biomarker-driven, AI-enabled small molecule therapies for cancer. The company leverages structure-based, AI-driven drug design to build a pipeline of targeted treatments, aiming for best-in-class and first-in-class oncology candidates that address unmet medical needs.

SFA Therapeutics SFA Therapeutics is a clinical-stage biopharmaceutical company developing first-in-class, orally delivered small-molecule Treg modulators that restore immune homeostasis. Built on research into natural immune regulators originating in the gut, its targeted biosynthesis platform creates disease-specific drugs for autoimmune and inflammatory conditions, select cancers, infectious and liver diseases, offering predictable outcomes, superior safety, and scalable manufacturing.

1910 Genetics 1910 Genetics offers a multimodal AI platform for drug discovery integrating laboratory automation and proprietary data, facilitating novel candidate delivery in neurology, autoimmune, and cancer research.

GEn1E Lifesciences GEn1E Lifesciences employs a machine learning-driven approach to accelerate the development of first-in-class therapies for inflammatory diseases, utilizing unique allosteric binding mechanisms to improve specificity and reduce side effects.

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Disclaimer

The RankmyAI Drug Discovery & Development Ranking is derived from our Overall ranking, which measures the popularity of AI tools based on three key metrics: website traffic, reviews, and investments. The Overall ranking is calculated as the weighted average of the individual rankings for each of these metrics (for more details, see our Methodology page).

Not all AI tools in this ranking are exclusively focused on drug discovery & development, as AI tools and companies often provide multiple services beyond this specific application. This ranking does not assess or indicate the quality, effectiveness, or reliability of the listed AI tools. It is solely based on popularity metrics and should not be interpreted as an endorsement or evaluation of their performance.

You are free to use and distribute our ranking, provided that RankmyAI is properly cited as the source (see our Copyright page).