Best Drug Discovery Software

Finding the best Drug Discovery Software for your business is now faster and easier! Compare prices, reviews, features, and get a free consultation to find the perfect software.

Rohit Rajpal
Researched and Written by Rohit Rajpal
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Most Popular Drug Discovery Software

This listing showcases software based on user recommendations and popularity. It also highlights products from our valued client partnerships.

SoftwareSuggest offers verified & unbiased user reviews based on user ratings and feedback. Our ratings and reports do not contain any paid placements. Learn more about our ranking methodology.

List of 19 Best Drug Discovery Software

Showing 1 - 20 of 19 products
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Emergents | 2025

Product Description

ArgusLab is a powerful tool that significantly enhances business efficiency and productivity by streamlining complex computational chemistry tasks. Its user-friendly interface and robust features enable faster decision-making and improved project outcomes, making it an invaluable asset for scientific research. Read More About ArgusLab

ArgusLab Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Homology Modeling
  • Protein Ligand Interaction
  • Molecular Modeling
  • Molecular Mechanics
  • Virtual Screening
  • Molecular Dynamics
  • Structure Based Design
  • Graphical User Interface
  • View all Features

ArgusLab Features and Usability-Based User Satisfaction Score

Freshness Score 9.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

ChemDraw is the industry-leading software platform for chemists and research scientists, providing lightning-fast drawing capabilities with key research application integrations to simplify and communicate chemistry research. With 35 years of scientific innovation, ChemDraw offers the most advanced informatics solutions across biology and chemistry. Read More About ChemDraw

ChemDraw Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Molecular Property Calculation
  • Stereochemistry Analysis
  • Sar Analysis
  • Mass Spec Fragmentation
  • Chemical Query Language
  • Nmr Prediction
  • Structure Cleanup
  • Library Enumeration
  • View all Features

ChemDraw Features and Usability-Based User Satisfaction Score

Freshness Score 9.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

FCS Express is a user-friendly flow cytometry software that transforms raw data into clear, presentation-ready results quickly. Its intuitive interface, similar to Microsoft Office, ensures researchers can easily navigate and analyze data without extensive training. Read More About FCS Express

FCS Express Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Flow Cytometry
  • Gating
  • Data Import/export
  • Multiparametric Analysis
  • Dose Response Curves
  • Quality Control
  • Kinetics
  • Data Visualization
  • View all Features

FCS Express Features and Usability-Based User Satisfaction Score

Freshness Score 9.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

DrugPatentWatch is the leading global biopharmaceutical business intelligence platform, providing accurate, actionable, and timely intelligence to help make better decisions. With DrugPatentWatch, users can access a complete database of drug patents, generic entry opportunities, confidential royalty and settlement terms, and automated reports and custom dashboards... Read More About DrugPatentWatch

DrugPatentWatch Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Clinical Trials
  • Patent Assignees
  • Drug Indications
  • Patent Family Data
  • Drug Sales Data
  • International Patents
  • Drug Interactions
  • Drug Side Effects
  • View all Features

DrugPatentWatch Features and Usability-Based User Satisfaction Score

Freshness Score 9.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

BIOiSIM is a cutting-edge AI-driven platform that revolutionizes drug development by providing precise, actionable insights, significantly reducing risks and costs, and enhancing the likelihood of clinical success through advanced predictive modeling and deep learning algorithms. Read More About BIOiSIM

BIOiSIM Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Qsar Modeling
  • Fragment Based Drug Design
  • Ligand Based Drug Design
  • Virtual Screening
  • Structure Based Drug Design
  • Bioinformatics Integration
  • Molecular Dynamics Simulation
  • Data Visualization
  • View all Features

BIOiSIM Features and Usability-Based User Satisfaction Score

Freshness Score 9.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Atomwise is a cutting-edge software that leverages artificial intelligence to revolutionize drug discovery. By combining convolutional neural networks with extensive chemical libraries, it accelerates the identification of new small molecule medicines, transforming the pharmaceutical landscape. Read More About Atomwise

Atomwise Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Data Integration
  • Pharmacophore Modeling
  • Customizable Workflows
  • Admet Prediction
  • Collaborative Tools
  • Ai Driven Molecular Discovery
  • Molecular Docking
  • Cloud Based Platform
  • View all Features

Atomwise Features and Usability-Based User Satisfaction Score

Freshness Score 8.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

AlphaFold is a breakthrough AI system that accurately predicts 3D models of protein structures, significantly accelerating research across various biological fields and enhancing our understanding of fundamental biological processes. Read More About AlphaFold

AlphaFold Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Template Based Modeling
  • Cloud Integration
  • Structural Biology Integration
  • High Accuracy
  • Protein Structure Prediction
  • Customizable Parameters
  • Protein Folding
  • Deep Learning Algorithms
  • View all Features

AlphaFold Features and Usability-Based User Satisfaction Score

Freshness Score 8.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

"DNAnexus Apollo is the precision health data cloud that enables biomedical organizations to manage, analyze, and collaborate on multimodal data to unlock insights that improve patient care. With DNAnexus, teams can move quickly with a platform optimized for speed, integrate multiomics and clinical data to... Read More About DNAnexus Apollo

DNAnexus Apollo Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • High Performance Computing
  • Apis
  • Genomic Data Analysis
  • Collaboration Tools
  • Security
  • User Management
  • Scalability
  • Data Management
  • View all Features

DNAnexus Apollo Features and Usability-Based User Satisfaction Score

Freshness Score 8.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Mass Dynamics is a powerful proteomics software that enables life scientists to quickly assess experiment quality, analyze data with ease and confidence, collaborate with team members, and share results with colleagues. With built-in modules and flexible features, Mass Dynamics accelerates the work of biologists, clinicians,... Read More About Mass Dynamics

Mass Dynamics Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Fragment Based Drug Discovery
  • Molecular Dynamics Simulations
  • Collaborative Platform
  • Molecular Docking
  • Machine Learning Integration
  • De Novo Drug Design
  • Pharmacophore Modeling
  • Regulatory Compliance
  • View all Features

Mass Dynamics Features and Usability-Based User Satisfaction Score

Freshness Score 8.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

NoviSight 3D is an innovative software that simplifies workflows and boosts productivity by providing advanced 3D visualization and analysis tools. Its user-friendly interface and efficient features enable quicker decision-making and improved operational efficiency across various industries. Read More About NoviSight 3D

NoviSight 3D Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • De Novo Drug Design
  • Homology Modeling
  • Sar Analysis
  • Docking Studies
  • Chemical Library Management
  • Collaborative Research Platform
  • Bioinformatics Integration
  • Data Mining Tools
  • View all Features

NoviSight 3D Features and Usability-Based User Satisfaction Score

Freshness Score 8.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

SpliceCore is an advanced software platform by Envisagenics that utilizes AI and machine learning to identify novel RNA splicing targets, accelerating the development of RNA-based therapies with enhanced precision and transparency compared to traditional methods. Read More About SpliceCore

SpliceCore Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Protein Ligand Interaction Analysis
  • Virtual Screening
  • Fragment Based Drug Design
  • Lead Optimization
  • Hit To Lead Optimization
  • De Novo Drug Design
  • Molecular Docking
  • Machine Learning Integration
  • View all Features

SpliceCore Features and Usability-Based User Satisfaction Score

Freshness Score 8.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Bruker Drug Discovery is a cutting-edge software designed to accelerate pharmaceutical research. It offers advanced tools for molecular analysis, high-throughput screening, and data integration, enabling researchers to streamline the drug development process and achieve groundbreaking results efficiently. Read More About Bruker Drug Discovery

Bruker Drug Discovery Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Data Integration
  • Lead Optimization
  • Toxicology
  • Automated Workflows
  • Data Visualization
  • Virtual Screening
  • Chemoinformatics
  • Hit Identification
  • View all Features

Bruker Drug Discovery Features and Usability-Based User Satisfaction Score

Freshness Score 7.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Genedata Imagence is the #1 enterprise software system for achieving operational excellence in biopharma R&D. It enables the automation of complex R&D processes for any therapeutic format and modality, and helps organizations significantly reduce costs, accelerate workflows, and improve overall productivity. With built-in business logic... Read More About Genedata Imagence

Genedata Imagence Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Machine Learning
  • Cloud Integration
  • Hit Identification
  • Automated Image Segmentation
  • Cell Painting
  • Phenotypic Profiling
  • High Content Screening
  • Time Lapse Imaging
  • View all Features

Genedata Imagence Features and Usability-Based User Satisfaction Score

Freshness Score 7.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Simulations Plus is a cutting-edge software designed for advanced modeling and simulation in pharmaceutical research. It streamlines drug development processes, enhances predictive accuracy, and supports decision-making with robust data analysis tools, making it indispensable for researchers and scientists. Read More About Simulations Plus

Simulations Plus Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Pkplus
  • Medchem Studio
  • Gastroplus
  • Simulx
  • Kiwi
  • Quantitative Systems Pharmacology (qsp)
  • Admet Predictor
  • Dilisym
  • View all Features

Simulations Plus Features and Usability-Based User Satisfaction Score

Freshness Score 10.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Genomenon is a cutting-edge software platform that leverages AI to analyze and interpret vast genomic datasets, providing unparalleled insights. It accelerates variant interpretation, enhances diagnostic accuracy, and supports precision medicine development with comprehensive, curated genomic information. Read More About Genomenon

Genomenon Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Pharmacogenomics Insights
  • Functional Annotation
  • Structural Variant Analysis
  • Gene Disease Association
  • Real Time Data Updates
  • Interactive Data Visualization
  • Copy Number Variation Analysis
  • Api Integration
  • View all Features

Genomenon Features and Usability-Based User Satisfaction Score

Freshness Score 10.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Kanteron is an advanced clinical content management system that enables healthcare teams to access and manage medical images, digital pathology slides, genomic sequences, and patient data from modalities, scanners, sequencers, and databases. It provides a complete data toolkit for telemedicine, a 360° view of the... Read More About Kanteron

Kanteron Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Machine Learning Integration
  • Qsar Analysis
  • Bioinformatics Integration
  • Molecular Docking
  • Molecular Dynamics Simulation
  • Protein Ligand Interaction
  • High Throughput Screening
  • Ligand Based Drug Design
  • View all Features

Kanteron Features and Usability-Based User Satisfaction Score

Freshness Score 10.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

InSilicoTrials is revolutionizing drug development with its cloud-based platform, integrating advanced computational models and AI to accelerate R&D, cut costs, and enhance safety, making innovative healthcare solutions more accessible and efficient than ever before. Read More About InSilicoTrials

InSilicoTrials Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Hit Identification
  • De Novo Drug Design
  • Ligand Based Drug Design
  • Data Visualization
  • Virtual Screening
  • Toxicity Prediction
  • Molecular Dynamics
  • Fragment Based Drug Design
  • View all Features

InSilicoTrials Features and Usability-Based User Satisfaction Score

Freshness Score 9.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

BioNeMo is a cutting-edge software designed to accelerate drug discovery by leveraging generative AI. It empowers researchers with advanced tools to simulate molecular interactions, predict outcomes, and streamline the development of new therapeutics efficiently. Read More About BioNeMo

BioNeMo Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Protein Ligand Interaction
  • Molecular Docking
  • Library Design
  • Fragment Based Design
  • Virtual Screening
  • Data Integration
  • Molecular Dynamics
  • Pharmacophore Modeling
  • View all Features

BioNeMo Features and Usability-Based User Satisfaction Score

Freshness Score 7.5

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

Emergents | 2025

Product Description

Cortellis is a powerful set of tools designed to help life science professionals bring new therapies to market faster. From drug discovery and clinical trials to navigating regulations and launching products, Cortellis provides the data and insights needed to make smarter decisions at every step. Read More About Cortellis

Cortellis Is Tailored For

StartUps

SMBs

Mid-Market

Enterprises

Features

  • Integration Capabilities
  • Enrollment Tracking
  • Regulatory Compliance
  • Reporting And Analytics
  • Data Monitoring
  • Safety Management
  • Mobile Access
  • Investigator Management
  • View all Features

Cortellis Features and Usability-Based User Satisfaction Score

Freshness Score 7.0

Freshness Score

Out of 10

Social Score 5.0

Social Score

Out of 10

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Last Updated: August 20, 2024