Lv2
102 积分 2024-09-20 加入
Automated exploration of the low-energy chemical space with fast quantum chemical methods
1个月前
已完结
Efficient Quantum-Chemical Calculations of Acid Dissociation Constants from Free-Energy Relationships
1个月前
已完结
AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology
1个月前
已完结
Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids
1个月前
已完结
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
1个月前
已完结
The significance of acid/base properties in drug discovery
1个月前
已完结
Highly Precise Prediction of Micro- and Supra-pKa Based on 3D Descriptors Integrating Non-Covalent Interactions
3个月前
已完结
Pt migration–lockup in zeolite for stable propane dehydrogenation catalyst
3个月前
已完结
PKAD-R: curated, redesigned and expanded database of experimental pKa values in proteins
3个月前
已完结
CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean
4个月前
已完结
皖公网安备34019202002308
