Computer-Aided Screening Services for Small Molecule Ophthalmic Drug Development

Artificial intelligence (AI) and machine learning play a crucial role in ophthalmic drug discovery and development, including drug target discovery, compound screening, pharmacokinetic model innovation, and clinical trial development, among others. As the world's leading leader in the discovery of ophthalmic small molecule compounds, Ace Therapeutics provides customers with efficient and practical AI-assisted virtual screening services to find new hits in an efficient and fast manner, thereby significantly reducing costs and promoting the further development of your ophthalmic products.

Ocular Diseases Small Molecule Compounds Computer-Aided Screening

Introduction

Drug design and development is a vital area of research for pharmaceutical companies and chemical scientists. A number of obstacles and challenges affect drug discovery and design, including inefficiency, off-target delivery, time-consuming, and high cost. Due to the risks of high cost, long cycle, and low success rate in the development of new drugs, the process of innovation and iteration of ophthalmic drugs is becoming increasingly slow. Artificial intelligence (AI) and machine learning, as a new technology, play a vital role in drug discovery and development. It is expected to empower the whole process of ophthalmic drug research and development, including drug target discovery, compound screening, pharmacokinetic model innovation and clinical trial development, etc., in order to "reduce costs and increase efficiency" for ophthalmic drug research and development, and help ophthalmic drug research and development to achieve precision to the intelligent leap.

Ocular Diseases Small Molecule Compounds Computer-Aided Screening

Service Overview

Challenging hit identification can prolong ophthalmic drug discovery programs by months or even years. Ace Therapeutics can avoid many of these delays by using artificial intelligence (AI) for drug discovery, often combining computational methods with drug discovery for a faster and smoother transition to the clinic.

Optimizing potential lead compounds can be a time-consuming and costly process. Talented scientists at Ace Therapeutics use artificial intelligence (AI) drug discovery methods and machine learning methods to accelerate and guide scientific decision-making.

Service Process

Step 1 AI-assisted ocular disease target identification

Use natural language processing to search unstructured databases of literature, patents, and clinical trial reports.
Use ML technology to quickly extract useful features, patterns and structures from large biological databases.

Step 2 AI empowers the screening of ophthalmic small molecule compounds

Build a filter set of known active and inactive compounds
Use filtered sets for training models based on supervised learning techniques
If the model's accuracy is satisfactory in verification, it can be applied to the screening of existing data sets.
Existing scoring algorithms include: target-based virtual screening (NNScore, SVR-Score, ID-Score, etc.), ligand-based virtual screening (Hybridge Sim-VS, SwissSimility, BRUSELAS, etc.)

Step 3 AI helps innovate ocular pharmacokinetic model

Ace Therapeutics helps global customers carry out more reliable drug research by developing more accurate preclinical models. The application of computer modeling simulation to the field of ophthalmic pharmaceutical is also under development, including GastroPlus-based model, MATLAB-based model and STELLA® 10.0.3 -based model.

Explore Our Capabilities

Early-stage projects often require new chemical types with the goal of increasing the number or quality of hits following high-throughput screening (HTS), identifying better starting points for new and/or backup series, and moving away from existing chemistries to avoid ADME or intellectual property (IP) liability.

Ace Therapeutics leverages AI-learned SAR on multiple parameters and starts from HTS or other forms of screening data, existing hits, compound clusters, endogenous ligands, or patent and literature data. What attracts our clients is the ability of our AI screens to simultaneously optimize multiple parameters, including potency, affinity, selectivity for off-targets, solubility, permeability, synthetic ease of processing, patentability, drug-likeness, solubility, cytotoxicity and stability sex. In addition, a much greater diversity of compounds than contained in physical libraries is available.

Ace Therapeutics offers a wide range of professional support for your ophthalmic product development. Our AI-aided screening significantly reduce costs and facilitate further experiments. If you are interested in our services or need more detailed information, please feel free to contact us. Our experienced scientists are ready to help you!

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