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按潜在疾病分类

通过CADD技术寻找潜力小分子是合理设计和发现药物的重要手段,这一方式可大大减少需要筛选的化合物数量,增加筛选命中率。我们通过CADD技术对160万的小分子进行了筛选,一方面,以已知活性分子作为依据寻找结构类似物;一方面,通过对已知靶点与小分子的docking分析,寻找有潜力的小分子。以上筛选到的小分子还需要经过一系列严格药物化学性质过滤,最终形成了具有一定筛选价值的疾病库。TargetMol提供抗肿瘤、抗病毒、抗心血管病等多种类型的疾病库,具有新颖性和良好的药物化学性质,是高通量和高内涵筛选的有力工具。

VM CNS library VM1300 CNS化合物库VM 60100 compounds AN CNS Library AN5600 AN CNS 化合物库 120883 compounds Anti-HIV Screening Libraries LF1300 抗HIV筛选化合物库 16800 compounds Antibacterial compounds library DP2350 抗细菌化合物库 15000 compounds Coronavirus Library CB1200 抗新冠病毒化合物库 15000 compounds Antituberculosis Screening Compound Libraries LF1900 抗结核筛选化合物库 11800 compounds Celiac Disease Screening Library LF3330 乳糜泻筛选化合物库 1200 compounds Antibacterial Gram-negative Library EN7400 抗菌革兰氏阴性菌库 6400 compounds Antidepressant library OT2700 抗抑郁药物库 1554 compounds Anti-hepatitis Screening Libraries LF1200 抗肝炎筛选化合物库 1604 compounds Antibacterial Library AN3900 抗菌化合物库 5968 compounds Ocular Diseases small molecules library DS5000 眼部疾病小分子库 13000 compounds OA CNS Library OA1700 CNS化合物库OA 2000 compounds US Antibacterial Library US1800 抗细菌化合物库US 6104 compounds CNS Diversity Pre-Plated Set AN1600 CNS 多样性预制化合物库 6003 compounds CNS Library DD1400 CNS化合物库 26000 compounds OT Antifungal library OT2800 抗真菌化合物库OT 828 compounds Cardiovascular Library DP2260 心血管疾病化合物库 23000 compounds CB CNS-MPO Library CB1800 CNS MPO化合物库CB 50000 compounds Angiogenesis library DD1900 血管生成化合物库CD 17000 compounds Antiparasite library DD1200 抗寄生虫化合物库CD 28000 compounds Antiviral Library AN4000 抗病毒化合物库AN 6827 compounds Anticarcinogenic library OT2500 抗癌化合物库OT 822 compounds EN Antibacterial Library From Enamine EN1800 抗细菌化合物库EN 32000 compounds LF Antiviral Libraries LF2000 抗病毒化合物库LF 20000 compounds US CNS-permeable Compounds Library US2100 CNS化合物库US 10651 compounds Coronavirus Screening Library LF1032 冠状病毒筛选库 7437 compounds Antimalarial Screening Libraries LF1700 抗疟疾筛选化合物库 7900 compounds Antipsychotic library OT3200 抗精神病药物库 1315 compounds Targeted Oncology Library AN5700 靶向肿瘤化合物库 4815 compounds CNS BBB Library DD2000 CNS血脑屏障化合物库 23000 compounds Antiprotozoal Screening Compound Library LF1800 抗原生动物筛选化合物库 8200 compounds miRNA targeted small molecule library DS1100 miRNA靶向小分子化合物库 20000 compounds LF Epigenetic Screening Libraries LF2900 表观遗传筛选化合物库LF 11500 compounds Anti-inflammatory Screening Compound Library LF1400 抗炎筛选化合物库 2900 compounds Anticonvulsant library OT2600 抗惊厥药物库 1830 compounds Anticancer Screening Compound Library LF1600 抗癌筛选化合物库 13600 compounds CNS MPO Library DP2250 CNS MPO化合物库 30000 compounds EN Antiviral Library EN6100 EN抗病毒库 Coronaviruses Targeted Library VM1900 冠状病毒靶向化合物库 10027 compounds Anti-Aging Library DP2280 抗衰老化合物库CD 50000 compounds CNS Macrocycles Library AN3500 CNS大环化合物库 1122 compounds Anti-infective Library DD2300 抗感染化合物库CD 19320 compounds CB Macrocycle CNS Library CB1900 CNS大环化合物库CB 3000 compounds Machine Learning SARS Targeted Library OA2500 机器学习 SARS 靶向化合物库 1577 compounds Antibacterial Screening Compound Library LF1500 抗菌筛选化合物库 18000 compounds CNS Targets DS2500 CNS靶向化合物库 44000 compounds CNS Screening Library LF2300 CNS筛选化合物库 30300 compounds HIV Targeted Library VM2000 HIV靶向化合物库 6193 compounds Immuno-oncology Screening Libraries LF9600 免疫-肿瘤筛选化合物库 3700 compounds Antiviral Library US1900 抗病毒化合物库US 4183 compounds Immuno-Oncology Library From Enamine EN2800 免疫-肿瘤化合物库 52927 compounds Antiobesity library OT3100 抗肥胖化合物库OT 1714 compounds Immunological Library DD2400 免疫靶向化合物库 7300 compounds Alzheimer's disease targeted polypharmacology library OA3600 阿尔兹海默症多元药理学化合物库 631 compounds Antiviral HBV DD2100 抗HBV病毒化合物库 11000 compounds Regenerative Medicine Focused Library DD3100 再生医学靶向化合物库 23000 compounds Immuno-Oncology Library AN4800 免疫肿瘤化合物库 6334 compounds Anti-HIV1 Library DD1500 抗HIV1化合物库 21000 compounds Anticancer Library DD1100 抗肿瘤筛选化合物库 65000 compounds Antituberculosic library OT3300 抗结核药物库 1828 compounds Anti-Inflammatory Library DD1300 抗炎化合物库 28000 compounds Antimigraine library OT3000 抗偏头痛化合物库 426 compounds Antifungal Library DD1700 抗真菌化合物库CD 18000 compounds
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