Drug Discovery Software
Drug discovery software helps pharmaceutical companies develop new drugs and test their effectiveness in treating specific diseases. +Show More
| Products | Position | Free Trial | |||
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ChemDraw |
Leader
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-
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Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
5k-10k employees
Company's social media followers
100k-1m followers
Features
Deployment
On-prem
Company
Type of company
public
Founding year
1931
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CDD Vault |
Leader
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-
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CDD Vault is a complete platform for drug discovery informatics, hosted through an intuitive web interface. It helps your project team manage, analyze, and present chemical structures and biological assay data. Activity & Registration * Electronic Lab Notebook (ELN) * Visualization * Inventory * APIs * Secure Online Hosting Start your free trial and see first hand how easy it is to manage drug discovery data.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
50-100 employees
Company's social media followers
10k-20k followers
Features
Deployment
SaaS
Company
Type of company
private
Founding year
2004
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Schrodinger Discovery Informatics Suite |
Leader
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-
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Data sharing and collaborative drug design across the entire discovery team in real time.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
400-1k employees
Company's social media followers
40k-50k followers
Total funding
$1-1bn
# of funding rounds
9
Latest funding date
November 18, 2021
Last funding amount
$1-5m
Features
Deployment
On-prem
Company
Type of company
public
Founding year
1990
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DrugPatentWatch |
Leader
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-
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Deep knowledge on pharmaceutical drugs - patents, suppliers, generics, formulation, and more.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
1-5 employees
Company's social media followers
1k-2k followers
Features
Deployment
SaaS
Company
Type of company
private
Founding year
2002
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PyRx |
Leader
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-
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PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
30-40 employees
Company's social media followers
30k-40k followers
Features
Deployment
On-prem
Company
Type of company
private
Founding year
1999
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Chemia |
Challenger
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-
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Chemia is a cost effective, compliant and turnkey Electronic Lab Notebook, used in API, Formulation and Analytical Labs, during the Drug Discovery and Development process.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
50-100 employees
Company's social media followers
3k-4k followers
Company
Type of company
private
Founding year
1996
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AutoDock |
Challenger
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-
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AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
2k-3k employees
Company's social media followers
50k-100k followers
Total funding
$50-100m
# of funding rounds
1
Latest funding date
May 18, 2022
Last funding amount
$50-100m
Company
Type of company
private
Founding year
1993
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Augusta |
Challenger
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-
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BioSymetrics' Augusta is a first of its kind software framework and coding language for Biomedical AI/Machine Learning applications that include drug discovery, precision medicine and value based care. Augusta contains over 300 code blocks and an iterative AI core to normalize any biomedical data type including chemistry(compounds), imagery (fMRI etc.) , genetics, EMR systems and more.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
10-20 employees
Company's social media followers
3k-4k followers
# of funding rounds
1
Latest funding date
January 1, 2017
Company
Type of company
private
Founding year
2015
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StarDrop |
Challenger
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-
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With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfactionMarket presence
Company's number of employees
50-100 employees
Company's social media followers
5k-10k followers
Total funding
$1-5m
# of funding rounds
3
Latest funding date
June 21, 2022
Company
Type of company
private
Founding year
2009
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Thermo Scientific Nautilus LIMS |
Niche Player
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-
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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.
Basis for EvaluationWe made these evaluations based on the following parameters; Customer satisfaction
Average rating
Market presence
Company's number of employees
50k-100k employees
Company's social media followers
1m-2m followers
Total funding
$11047155227
# of funding rounds
5
Latest funding date
August 7, 2023
Last funding amount
$1-5bn
Company
Type of company
public
Founding year
1956
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“-”: AIMultiple team has not yet verified that vendor provides the specified feature. AIMultiple team focuses on feature verification for top 10 vendors.
Sources
AIMultiple uses these data sources for ranking solutions and awarding badges in drug discovery software:
Drug Discovery Leaders
According to the weighted combination of 4 metrics
What are drug discovery
customer satisfaction leaders?
Taking into account the latest metrics outlined below, these are the current drug discovery customer satisfaction leaders:
Which drug discovery solution provides the most customer satisfaction?
AIMultiple uses product and service reviews from multiple review platforms in determining customer satisfaction.
While deciding a product's level of customer satisfaction, AIMultiple takes into account its number of reviews, how reviewers rate it and the recency of reviews.
- Number of reviews is important because it is easier to get a small number of high ratings than a high number of them.
- Recency is important as products are always evolving.
- Reviews older than 5 years are not taken into consideration
- older than 12 months have reduced impact in average ratings in line with their date of publishing.
What are drug discovery
market leaders?
Taking into account the latest metrics outlined below, these are the current drug discovery market leaders:
Which one has collected the most reviews?
AIMultiple uses multiple datapoints in identifying market leaders:
- Product line revenue (when available)
- Number of reviews
- Number of case studies
- Number and experience of employees
- Social media presence and engagement
What are drug discovery feature leaders?
Taking into account the latest metrics outlined below, these are the current rpa software feature leaders.
Which one offers the most features?
CDD Vault, Schrodinger Discovery Informatics Suite, ChemDraw offer the most feature complete products.
What are the most mature drug discovery software?
Which one has the most employees?
Which drug discovery companies have the most employees?
51 employees work for a typical company in this solution category which is 28 more than the number of employees for a typical company in the average solution category.
In most cases, companies need at least 10 employees to serve other businesses with a proven tech product or service. 27 companies with >10 employees are offering drug discovery software. Top 3 products are developed by companies with a total of 100k employees. The largest company in this domain is Thermo Fisher Scientific with more than 90,000 employees. Thermo Fisher Scientific provides the drug discovery solution: Thermo Scientific Nautilus LIMS
Insights
What are the most common words describing drug discovery software?
This data is collected from customer reviews for all drug discovery companies. The most positive word describing drug discovery software is “Easy to use” that is used in 14% of the reviews. The most negative one is “Difficult” with which is used in 9% of all the drug discovery reviews.
What is the average customer size?
According to customer reviews, most common company size for drug discovery customers is 51-1,000 employees. Customers with 51-1,000 employees make up 31% of drug discovery customers. For an average Healthcare solution, customers with 51-1,000 employees make up 27% of total customers.
Customer Evaluation
These scores are the average scores collected from customer reviews for all drug discovery software. Drug Discovery Software are most positively evaluated in terms of "Overall" but falls behind in "Ease of Use".
Where are drug discovery vendors' HQs located?
Trends
What is the level of interest in drug discovery software?
This category was searched on average for 238 times per month on search engines in 2024. This number has decreased to 0 in 2025. If we compare with other healthcare solutions, a typical solution was searched 649 times in 2024 and this decreased to 0 in 2025.