# Best Drug Discovery Software - Page 2

## How Many Drug Discovery Software Products Does G2 Track?

**Total Products under this Category:** 87

### Category Stats (Aug 2026)

- **Average Rating:** 4.42/5 The average rating of products in this category, based on all submitted ratings

_Last updated: August 15, 2026_

## How Does G2 Rank Drug Discovery Software Products?

**Why You Can Trust G2's Software Rankings:**

- 30 Analysts and Data Experts
- 100+ Authentic Reviews
- 87+ Products
- Unbiased Rankings

G2's software rankings are built on verified user reviews, rigorous moderation, and a consistent research methodology maintained by a team of analysts and data experts. Each product is measured using the same transparent criteria, with no paid placement or vendor influence. While reviews reflect real user experiences, which can be subjective, they offer valuable insight into how software performs in the hands of professionals. Together, these inputs power the G2 Score, a standardized way to compare tools within every category.

### [Leadscope Model Applier](https://www.g2.com/products/leadscope-model-applier/reviews)

Leadscope Model Applier is a powerful, easy-to-use software solution for computational toxicology, providing accurate toxicity predictions, expert review capabilities, and regulatory-ready reports in seconds. With numerous models developed under a research collaboration agreement with the FDA, Leadscope Model Applier enables robust, defendable, and transparent toxicology assessments that reduce or even eliminate the need for costly animal or in vitro studies.

**Average Rating:** 5.0/5.0

**Total Reviews:** 1

#### Who Is the Company Behind Leadscope Model Applier?

- **Seller:** [instem](https://www.g2.com/sellers/instem)
- **Year Founded:** 1969
- **HQ Location:** Boston, USA
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=382c07dc8fd9c1fb7e0f890c017ec9f8c7507d2905e8226e23198f669f593f35&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Finstem&secure%5Burl_type%5D=linkedin_company_website)  
435 employees on LinkedIn®
- **Ownership:** AIM: INS

#### Who Uses This Product?

- **Company Size:** 100% Small

#### What Are Recent G2 Reviews of Leadscope Model Applier?

**["Clear Predictions, Easy Setup"](https://www.g2.com/survey_responses/leadscope-model-applier-review-13060259)**

**Rating:** 5.0/5.0 stars

_— Verified User_

[Read full review](https://www.g2.com/survey_responses/leadscope-model-applier-review-13060259)

### [Open Drug Discovery Toolkit (ODDT)](https://www.g2.com/products/open-drug-discovery-toolkit-oddt/reviews)

Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc. ODDT is written in Python, and make extensive use of Numpy/Scipy

**Average Rating:** 4.5/5.0

**Total Reviews:** 1

#### Who Is the Company Behind Open Drug Discovery Toolkit (ODDT)?

- **Seller:** [GitHub](https://www.g2.com/sellers/github)
- **Year Founded:** 2008
- **HQ Location:** San Francisco, CA
- **Twitter:** @github  
2,673,925 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=c06a67fd698737e0e0058dd8a6726d5e9af42b7ce88417153ae8028eed3914af&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2F1418841%2F&secure%5Burl_type%5D=linkedin_company_website)  
6,653 employees on LinkedIn®

#### Who Uses This Product?

- **Company Size:** 100% Small

#### What Are Recent G2 Reviews of Open Drug Discovery Toolkit (ODDT)?

**["I love the product"](https://www.g2.com/survey_responses/open-drug-discovery-toolkit-oddt-review-2070737)**

**Rating:** 4.5/5.0 stars

_— Verified User in Hospital & Health Care_

[Read full review](https://www.g2.com/survey_responses/open-drug-discovery-toolkit-oddt-review-2070737)

#### What Are G2 Users Discussing About Open Drug Discovery Toolkit (ODDT)?

- [What is Open Drug Discovery Toolkit (ODDT) used for?](https://www.g2.com/discussions/what-is-open-drug-discovery-toolkit-oddt-used-for)

### [PEPID PDC](https://www.g2.com/products/pepid-pdc/reviews)

PEPID PDC gives healthcare professionals fast access to authoritative drug information, a comprehensive drug interactions checker, and a complete toxicology reference for safer, more effective care at the patient's bedside.

**Average Rating:** 3.0/5.0

**Total Reviews:** 1

#### Who Is the Company Behind PEPID PDC?

- **Seller:** [Pepid](https://www.g2.com/sellers/pepid)
- **Year Founded:** 1994
- **HQ Location:** Phoenix, US
- **Twitter:** @pepid\_llc  
979 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=5d11e0c3d9a45f9a2bb812bec4e9c2d8fa4401eb2e639f06ded4bef94488a26a&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Fpepid&secure%5Burl_type%5D=linkedin_company_website)  
42 employees on LinkedIn®

#### Who Uses This Product?

- **Company Size:** 100% Large

#### What Are G2 Users Discussing About PEPID PDC?

- [What is PEPID PDC used for?](https://www.g2.com/discussions/pepid-pdc-what-is-pepid-pdc-used-for)
- [What is PEPID PDC used for?](https://www.g2.com/discussions/what-is-pepid-pdc-used-for)

### [Schrodinger](https://www.g2.com/products/schrodinger/reviews)

Data sharing and collaborative drug design across the entire discovery team in real time.

**Average Rating:** 5.0/5.0

**Total Reviews:** 1

#### Who Is the Company Behind Schrodinger?

- **Seller:** [Schrodinger](https://www.g2.com/sellers/schrodinger)
- **Year Founded:** 1990
- **HQ Location:** New York, New York, United States
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=3fe3dcca4130ca4b286837331e93a2ea115475be6821ca48597cc03b88424b78&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Fschr-dinger&secure%5Burl_type%5D=linkedin_company_website)  
999 employees on LinkedIn®
- **Ownership:** NASDAQ: SDGR

#### Who Uses This Product?

- **Company Size:** 100% Medium

#### What Are Recent G2 Reviews of Schrodinger?

**["Used for GPCR Homology Model Ligand Docking"](https://www.g2.com/survey_responses/schrodinger-review-2549133)**

**Rating:** 5.0/5.0 stars

_— Verified User in Research_

[Read full review](https://www.g2.com/survey_responses/schrodinger-review-2549133)

#### What Are G2 Users Discussing About Schrodinger?

- [What is Schrodinger used for?](https://www.g2.com/discussions/what-is-schrodinger-used-for)

### [Thermo Scientific Nautilus LIMS](https://www.g2.com/products/thermo-scientific-nautilus-lims/reviews)

Nautilus LIMS for Dynamic Discovery and R&D Environments is a highly flexible, easily configurable system that increases workflow efficiency, throughput and data reliability while simplifying administration, sample traceability and regulatory compliance.

**Average Rating:** 4.5/5.0

**Total Reviews:** 1

#### Who Is the Company Behind Thermo Scientific Nautilus LIMS?

- **Seller:** [Thermo Fisher Scientific](https://www.g2.com/sellers/thermo-fisher-scientific)
- **HQ Location:** Waltham, MA
- **Twitter:** @thermosci  
23,517 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=6484afb965d2d2a1d069080518f41101e7e31d64e297398f95d7bdd5736ff5db&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2F3081%2F&secure%5Burl_type%5D=linkedin_company_website)  
100,255 employees on LinkedIn®
- **Ownership:** BMV:TMO
- **Total Revenue (USD mm):** $32,218

#### Who Uses This Product?

- **Company Size:** 100% Medium

#### What Are Recent G2 Reviews of Thermo Scientific Nautilus LIMS?

**["Good results management program in a laboratory"](https://www.g2.com/survey_responses/thermo-scientific-nautilus-lims-review-843353)**

**Rating:** 4.5/5.0 stars

_— David R._

[Read full review](https://www.g2.com/survey_responses/thermo-scientific-nautilus-lims-review-843353)

#### What Are G2 Users Discussing About Thermo Scientific Nautilus LIMS?

- [What is Thermo Scientific Nautilus LIMS used for?](https://www.g2.com/discussions/thermo-scientific-nautilus-lims-what-is-thermo-scientific-nautilus-lims-used-for)
- [What is Thermo Scientific Nautilus LIMS used for?](https://www.g2.com/discussions/what-is-thermo-scientific-nautilus-lims-used-for)

### [A-Alpha Bio](https://www.g2.com/products/a-alpha-bio/reviews)

Synthetic biotechnology and ML to accelerate drug development, allowing researchers to discover, optimize, and characterize drugs more efficiently.

#### Who Is the Company Behind A-Alpha Bio?

- **Seller:** [A-Alpha Bio](https://www.g2.com/sellers/a-alpha-bio)
- **LinkedIn® Page:** [linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=dd38437db314af42291f52f6d9c0481af81345a6e8d6007506397c251b37d13b&secure%5Burl%5D=https%3A%2F%2Flinkedin.com%2Fcompany%2Faalphabio&secure%5Burl_type%5D=linkedin_company_website)

### [Advanced Medicine Partners](https://www.g2.com/products/advanced-medicine-partners/reviews)

A biotechnology company to accelerate clinical trial design, regulatory affairs, and data management, and streamlines the development process through automation, allowing clients to make informed decisions, reduce costs, and ultimately improve patient outcomes

#### Who Is the Company Behind Advanced Medicine Partners?

- **Seller:** [Advanced Medicine Partners](https://www.g2.com/sellers/advanced-medicine-partners)
- **Year Founded:** 2023
- **HQ Location:** Cary, US
- **LinkedIn® Page:** [linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=a2e80c83302068c6de5739fa0df812c0816207a5ef591aad5b7e21c515028c4e&secure%5Burl%5D=https%3A%2F%2Flinkedin.com%2Fcompany%2Fampgtx&secure%5Burl_type%5D=linkedin_company_website)  
55 employees on LinkedIn®

### [Advera Health](https://www.g2.com/products/advera-health/reviews)

Advera Health is a healthcare informatics company that uses data-mining and analytics for analysis of drug evidence.

#### Who Is the Company Behind Advera Health?

- **Seller:** [Advera Health Analytics](https://www.g2.com/sellers/advera-health-analytics)
- **HQ Location:** Santa Rosa, US
- **Twitter:** @AdveraHealth  
1,288 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=8a94699406eee63fa00a7558a87ae402fb35e863838690d41dc73e931829d81d&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Fadvera-health-analytics%2F&secure%5Burl_type%5D=linkedin_company_website)  
4 employees on LinkedIn®

### [adWATCH](https://www.g2.com/products/adwatch/reviews)

adWATCH - AE helps pharmaceutical organizations manage and report adverse events that occur during clinical trials.

#### Who Is the Company Behind adWATCH?

- **Seller:** [Atlant Systems](https://www.g2.com/sellers/atlant-systems-ed8c181f-8e3d-4ab1-90b8-2902bd9ce3cf)
- **HQ Location:** N/A
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=35c6b7f4658bad6efb0cf8e7e29037172068fb982b7248549e8ddd0151da5b76&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Fllc-atlant-systems%2F&secure%5Burl_type%5D=linkedin_company_website)  
2 employees on LinkedIn®

### [American Gene Technologies](https://www.g2.com/products/american-gene-technologies/reviews)

American Gene Technologies (AGT) practices the art and science of genetic medicine. AGTrobust programs of discovery and drug development also include efforts on research and development of genetic medicines for treating Parkinsondisease and familial dysautonomia a rare, inherited orphan disease that is characterized by early onset blindness and other neurological problems. As priority programs move toward clinical testing, and as AGT continues to grow, these and other areas of investigation will expand and refine the genetic medicine strategies while advancing toward the clinic alongside other focus areas.

#### Who Is the Company Behind American Gene Technologies?

- **Seller:** [American Gene Technologies International](https://www.g2.com/sellers/american-gene-technologies-international)
- **Year Founded:** 2007
- **HQ Location:** Rockville, Maryland, United States
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=34842e690f70d23a01dc580dcfb7c11eb5ce2ba4ca0f421ff34f28b0cb99f12e&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Famerican-gene-technologies-international-inc%2F&secure%5Burl_type%5D=linkedin_company_website)  
25 employees on LinkedIn®

### [Aspect Analytics](https://www.g2.com/products/aspect-analytics/reviews)

Aspect Analytics offers consultancy services, home-grown software, development of workflows, and customization of software.

#### Who Is the Company Behind Aspect Analytics?

- **Seller:** [Aspect Analytics](https://www.g2.com/sellers/aspect-analytics)
- **Year Founded:** 2018
- **HQ Location:** Genk, BE
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=b4cc21dd33bd6269b171f84efcf31b85c700a818bd4cfe035fcf1555d79307e0&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2Faspectanalytics&secure%5Burl_type%5D=linkedin_company_website)  
26 employees on LinkedIn®

### [Aurora Drug Discovery Software](https://www.g2.com/products/aurora-drug-discovery-software/reviews)

Aurora employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligand's binding affinities. This approach differs dramatically from scoring functions that are commonly used for binding affinity predictions. By including the entropy and aqueous electrostatic contributions in to the calculations directly, Aurora algorithms produce much more accurate and robust values of binding free energies.

#### Who Is the Company Behind Aurora Drug Discovery Software?

- **Seller:** [Aurora Fine Chemicals](https://www.g2.com/sellers/aurora-fine-chemicals)
- **Year Founded:** 1990
- **HQ Location:** San Diego, US
- **Twitter:** @AuroraChemicals  
27 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=0bd1cb4ad7d47df062db65e330de1255e4da3a0d84b450f280d31cb0f95f1dbb&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2F6671293&secure%5Burl_type%5D=linkedin_company_website)  
3 employees on LinkedIn®

### [AutoChrom](https://www.g2.com/products/autochrom/reviews)

Method development software for the chromatography expert. AutoChrom helps experts develop chromatographic separations using QbD principles. It uses a workflow-based structure to streamline and track a project.

#### Who Is the Company Behind AutoChrom?

- **Seller:** [ACD/Labs](https://www.g2.com/sellers/acd-labs)
- **Year Founded:** 1994
- **HQ Location:** Toronto, Canada
- **Twitter:** @ACDLabs  
1,035 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=f4543331f690a04f6e30e2f73aed63796bf1a16d46b0130ede23548a42c7522d&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2F18480&secure%5Burl_type%5D=linkedin_company_website)  
195 employees on LinkedIn®

### [Basesoft PharmaSuite](https://www.g2.com/products/basesoft-pharmasuite/reviews)

The software that will help improve the safety, traceability, quality, agility and integration of your Pharmacotechnical and Drug Preparation Unit.

#### Who Is the Company Behind Basesoft PharmaSuite?

- **Seller:** [Basesoft](https://www.g2.com/sellers/basesoft)
- **Year Founded:** 2015
- **HQ Location:** Santiago de Compostela, ES
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=2c70a6913b8d3908ab3ea4884e6b17a847250c24a0e3ae1068cf3fdb0cb7545f&secure%5Burl%5D=http%3A%2F%2Fwww.linkedin.com%2Fcompany%2Fbasesoft&secure%5Burl_type%5D=linkedin_company_website)  
2 employees on LinkedIn®

### [BIOVIA Discovery Studio](https://www.g2.com/products/biovia-discovery-studio/reviews)

Discovery Studio is BIOVIA's comprehensive predictive science application for the Life Sciences. BIOVIA Discovery Studio 2019 stands as BIOVIA's major release for predictive sciences and modeling and simulation in the life sciences

#### Who Is the Company Behind BIOVIA Discovery Studio?

- **Seller:** [Dassault Systemes](https://www.g2.com/sellers/dassault-systemes)
- **Year Founded:** 1981
- **HQ Location:** Velizy-Villacoublay
- **Twitter:** @Dassault3DS  
74,082 Twitter followers
- **LinkedIn® Page:** [www.linkedin.com](https://www.g2.com/external_clickthroughs/record?secure%5Bsource_type%5D=product_profile&secure%5Btoken%5D=be24ad513e765c24033d0729104c71dc2870899bb3658f6b85f33967626cbb1a&secure%5Burl%5D=https%3A%2F%2Fwww.linkedin.com%2Fcompany%2F3896%2F&secure%5Burl_type%5D=linkedin_company_website)  
27,414 employees on LinkedIn®
- **Ownership:** EPA: DSY.PA

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 ![Emma Stein](/assets/transparent-ad5be28fbcd25b7b08d2cebe1d957125437fb5407d75ee717965ad22c8808791.gif "Emma Stein")
ES

Researched and written by [Emma Stein](https://research.g2.com/insights/author/emma-stein)

Updated October 3, 2024

Drug discovery software is used to develop new pharmaceutical drugs and test whether a newly created drug will be effective in treating a particular disease. Drug discovery software automates and leverages innovative technology that significantly cuts down on the arduous process of drug development, testing, and going to market.

Most drug discovery solutions offer screening, predictive analytics, modeling, simulation, and computational capabilities. Those functionalities help with tasks such as image analysis and clinical trial results submission, as well as ensuring accurate reproducibility. Researchers and scientists use drug discovery software to gain market intelligence, take advantage of advancements in drug design and synthesis, tackle evolving and adapting diseases, and maintain and manage the integrity of data as drugs transition from the discovery phase to the clinical trial phase.

To qualify for inclusion in the Drug Discovery category, a product must:

- Support the processes and workflows of pharmaceutical drug researchers and scientists
- Aggregate and analyze disease, chemical, drug, and other types of stored data
- Extract insight from datasets 
- Integrate with third-party modeling and visualization tools

Show More