Using artificial neural networks to develop molecular mechanics parameters for the modelling of metalloporphyrins: Part IV. Five-, six-coordinate metalloporphyrins of Mn, Co, Ni and Cu

Using artificial neural networks to deve

Using artificial neural networks to develop molecular mechanics parameters for the modelling of metalloporphyrins. III. Five coordinate Zn(II) porphyrins and the metalloprophyrins of the early 3d metals

✍ Catherine E. Skopec; Janine M. Robinson; Ignacy Cukrowski; Helder M. Marques 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 380 KB

Artificial neural networks (ANNs) are used as an aid in developing force field parameters for modelling, using molecular mechanics methods and the MM2 force field, the porphyrins of the early transition metals, Sc(III), Ti(II), Ti(III), Ti(IV), V(II), V(III), V(IV), Cr(III), Cr(IV) and Cr(V), in whi