THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section12


615. PSDD: Perceptron-Type Neural Network Simulator

by Hiroshi Ichikawa, Hoshi College of Pharmacy, 2-4-41 Ebara, Shinagawa, Tokyo 142, Japan

PSDD stands for Perceptron Simulator for Drug Design, a hierarchical neural network simulator which the author has developed for drug design. The program, however, may apply to many other problems in many other fields as a nonlinear classifier or a nonlinear multiregression analyzer.

PSDD includes the options of the reconstruction- learning technique, leave-one-out experiment and partial derivative calculation of each output strength with respect to each input parameter in addition to the usual classification, fitting and prediction operations. The network structure can be freely changed by setting network parameters.

_________

References:

1. T. Aoyama, Y. Suzuki and H. Ichikawa, Chem. Pharm. Bull.., 37, 2558 (1989).

2. T. Aoyama, Y. Suzuki and H. Ichikawa, J. Med. Chem., 33, 905 (1990).

3. T. Aoyama, Y. Suzuki and H. Ichikawa, J. Med. Chem., 33, 2583 (1990).

4. T. Aoyama and H. Ichikawa, Chem. Pharm. Bull., 39, 358 (1991).

5. T. Aoyama and H. Ichikawa, Chem. Pharm. Bull., 39, 372 (1991).

6. T. Aoyama and H. Ichikawa, Chem., Pharm. Bull., 39, 1222 (1991). _________

Lines of Code: 1800 FORTRAN 77 (IBM RS/6000)



Computational Chemistry List --- QCPE Main --- About This Site