Solid dispersion database

Total 58 polymers are available. Each polymer is calulated using DFT at the level of B3LYP(D3)/6-31G*. Bonded and nonbonded parameters of polymer were described with RESP charge and GAFF forcefield. N, M, L indicate the multiple unit, you can check it with the structure figure.

• POLOXAMER: Poloxamers are polyoxyethylene–polyoxypropylene copolymer. These macromolecule surfactants have the general formula EaPbEa, where a is a hydrophilic polyoxyethylene chain and b is a hydrophobic polyoxypropylene chain.

  

• PVP: Polyvinylpyrrolidone (PVP), commonly called polyvidone or povidone, is a water-soluble polymer made from the monomer N-vinylpyrrolidone.

  

• HPMCAS: Hydroxypropyl methylcellulose acetate succinate.

  HPMCAS_L:

  

  HPMCAS_M:

  

  HPMCAS_H:

  

• SOLUPLUS: Soluplus is a polymeric solubilizer with an amphiphilic chemical structure, which was particularly developed for solid solutions.

  

• PVPVA64: PVPVA64 is a 6:4 linear random copolymer of N-vinylpyrrolidone and vinyl acetate.

  

• PVA: Polyvinyl alcohol (PVOH, PVA, or PVAl) is a water-soluble synthetic polymer.

  

• Eudragit_L_100: Eudragit_L_100 contains an anionic copolymer based on methacrylic acid and ethyl acrylate. The ratio of the free carboxyl groups to the ester groups is approximately 1:1.

  

• Eudragit_E_100: Eudragit_E_100 is a cationic copolymer based on dimethylaminoethyl methacrylate, butyl methacrylate, and methyl methacrylate with a ratio of 2:1:1.

  

• GELUCIRE: Gelucire surfactants result from an esterification reaction between a polar moiety (PEG 32, molecular weight 1500) and an apolar moiety (vegetable oils or fatty acids). The final product is a mixture of PEG esters and mono-, di- and triglycerides (Gelucire® 44/14 and Gelucire® 50/13).

  

• PEG: PEG is also known as polyethylene oxide (PEO) or polyoxyethylene (POE), depending on its molecular weight. The structure of PEG is commonly expressed as H−(O−CH2−CH2)n−OH.

  

• PAA: Poly(acrylic acid) (PAA; trade name Carbomer) is a polymer with the formula (CH2-CHCO2H)n.

  

• HPMC: Hydroxypropyl methylcellulose (HPMC) belongs to the group of cellulose ethers in which hydroxyl groups have been substituted with one or more of the three hydroxyl groups present in the cellulose ring.